1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol

C137H205N13O10 — CID 161124583

IUPAC1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol
SMILESCC(C)(C)C(=O)N1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(OC2CCN(CCO)CC2)cc1.CC(C)(C)c1ccc(OC2CCN(Cc3ccccc3)CC2)cc1.CC(C)(C)c1ccnc(Cc2cc(C(C)(C)C)n[nH]2)c1.CC(C)(C)c1ccnc(OC2CCOCC2)c1.CN(c1cc(C(C)(C)C)ccn1)C1CCOCC1.COCCN1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.Cn1nccc1Cc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C22H29NO.C20H31NO2.C18H29NO2.C17H25N3.C17H27NO2.C15H24N2O.C14H19N3.C14H21NO2/c1-22(2,3)19-9-11-20(12-10-19)24-21-13-15-23(16-14-21)17-18-7-5-4-6-8-18;1-19(2,3)15-7-9-16(10-8-15)23-17-11-13-21(14-12-17)18(22)20(4,5)6;1-18(2,3)15-5-7-16(8-6-15)21-17-9-11-19(12-10-17)13-14-20-4;1-16(2,3)12-7-8-18-13(9-12)10-14-11-15(20-19-14)17(4,5)6;1-17(2,3)14-4-6-15(7-5-14)20-16-8-10-18(11-9-16)12-13-19;1-15(2,3)12-5-8-16-14(11-12)17(4)13-6-9-18-10-7-13;1-14(2,3)11-5-7-15-12(9-11)10-13-6-8-16-17(13)4;1-14(2,3)11-4-7-15-13(10-11)17-12-5-8-16-9-6-12/h4-12,21H,13-17H2,1-3H3;7-10,17H,11-14H2,1-6H3;5-8,17H,9-14H2,1-4H3;7-9,11H,10H2,1-6H3,(H,19,20);4-7,16,19H,8-13H2,1-3H3;5,8,11,13H,6-7,9-10H2,1-4H3;5-9H,10H2,1-4H3;4,7,10,12H,5-6,8-9H2,1-3H3
InChIKeyULJUZQUJRMAGSJ-UHFFFAOYSA-N
MW2194.23 g/mol
LogP28.35
Rot. Bonds23

About 1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol

1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol (PubChem CID 161124583) has the molecular formula C137H205N13O10 and a molecular weight of 2194.23 g/mol. Its IUPAC name is 1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol
PubChem CID161124583
Molecular FormulaC137H205N13O10
Molecular Weight2194.23 g/mol
Exact Mass2192.59
IUPAC Name1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol
SMILESCC(C)(C)C(=O)N1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(OC2CCN(CCO)CC2)cc1.CC(C)(C)c1ccc(OC2CCN(Cc3ccccc3)CC2)cc1.CC(C)(C)c1ccnc(Cc2cc(C(C)(C)C)n[nH]2)c1.CC(C)(C)c1ccnc(OC2CCOCC2)c1.CN(c1cc(C(C)(C)C)ccn1)C1CCOCC1.COCCN1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.Cn1nccc1Cc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C22H29NO.C20H31NO2.C18H29NO2.C17H25N3.C17H27NO2.C15H24N2O.C14H19N3.C14H21NO2/c1-22(2,3)19-9-11-20(12-10-19)24-21-13-15-23(16-14-21)17-18-7-5-4-6-8-18;1-19(2,3)15-7-9-16(10-8-15)23-17-11-13-21(14-12-17)18(22)20(4,5)6;1-18(2,3)15-5-7-16(8-6-15)21-17-9-11-19(12-10-17)13-14-20-4;1-16(2,3)12-7-8-18-13(9-12)10-14-11-15(20-19-14)17(4,5)6;1-17(2,3)14-4-6-15(7-5-14)20-16-8-10-18(11-9-16)12-13-19;1-15(2,3)12-5-8-16-14(11-12)17(4)13-6-9-18-10-7-13;1-14(2,3)11-5-7-15-12(9-11)10-13-6-8-16-17(13)4;1-14(2,3)11-4-7-15-13(10-11)17-12-5-8-16-9-6-12/h4-12,21H,13-17H2,1-3H3;7-10,17H,11-14H2,1-6H3;5-8,17H,9-14H2,1-4H3;7-9,11H,10H2,1-6H3,(H,19,20);4-7,16,19H,8-13H2,1-3H3;5,8,11,13H,6-7,9-10H2,1-4H3;5-9H,10H2,1-4H3;4,7,10,12H,5-6,8-9H2,1-3H3
InChIKeyULJUZQUJRMAGSJ-UHFFFAOYSA-N
XLogP28.35
TPSA225.40 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds23
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002194.23
LogP ≤ 528.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze 1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol?
The IUPAC name of 1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol (CID 161124583) is 1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol?
The canonical SMILES for 1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol is CC(C)(C)C(=O)N1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(OC2CCN(CCO)CC2)cc1.CC(C)(C)c1ccc(OC2CCN(Cc3ccccc3)CC2)cc1.CC(C)(C)c1ccnc(Cc2cc(C(C)(C)C)n[nH]2)c1.CC(C)(C)c1ccnc(OC2CCOCC2)c1.CN(c1cc(C(C)(C)C)ccn1)C1CCOCC1.COCCN1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.Cn1nccc1Cc1cc(C(C)(C)C)ccn1.
What is the InChIKey of 1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol?
The InChIKey is ULJUZQUJRMAGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO.C20H31NO2.C18H29NO2.C17H25N3.C17H27NO2.C15H24N2O.C14H19N3.C14H21NO2/c1-22(2,3)19-9-11-20(12-10-19)24-21-13-15-23(16-14-21)17-18-7-5-4-6-8-18;1-19(2,3)15-7-9-16(10-8-15)23-17-11-13-21(14-12-17)18(22)20(4,5)6;1-18(2,3)15-5-7-16(8-6-15)21-17-9-11-19(12-10-17)13-14-20-4;1-16(2,3)12-7-8-18-13(9-12)10-14-11-15(20-19-14)17(4,5)6;1-17(2,3)14-4-6-15(7-5-14)20-16-8-10-18(11-9-16)12-13-19;1-15(2,3)12-5-8-16-14(11-12)17(4)13-6-9-18-10-7-13;1-14(2,3)11-5-7-15-12(9-11)10-13-6-8-16-17(13)4;1-14(2,3)11-4-7-15-13(10-11)17-12-5-8-16-9-6-12/h4-12,21H,13-17H2,1-3H3;7-10,17H,11-14H2,1-6H3;5-8,17H,9-14H2,1-4H3;7-9,11H,10H2,1-6H3,(H,19,20);4-7,16,19H,8-13H2,1-3H3;5,8,11,13H,6-7,9-10H2,1-4H3;5-9H,10H2,1-4H3;4,7,10,12H,5-6,8-9H2,1-3H3.
What are the key properties of 1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol?
1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol has a molecular weight of 2194.23 g/mol, XLogP of 28.35, 23 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol is sourced from PubChem (CID 161124583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).