4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol

C17H36N2O — CID 64787040

IUPAC4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(C)(CO)CCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-14(2)18-17(6,13-20)9-12-19-10-7-15(8-11-19)16(3,4)5/h14-15,18,20H,7-13H2,1-6H3
InChIKeyVSNLWWSLLSDPMU-UHFFFAOYSA-N
MW284.49 g/mol
LogP2.88
Rot. Bonds6

About 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol

4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64787040) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol
PubChem CID64787040
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(C)(CO)CCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-14(2)18-17(6,13-20)9-12-19-10-7-15(8-11-19)16(3,4)5/h14-15,18,20H,7-13H2,1-6H3
InChIKeyVSNLWWSLLSDPMU-UHFFFAOYSA-N
XLogP2.88
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64787038
5-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64795994
2-methyl-4-(1,4-oxazepan-4-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64790904
4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64790896
6-(4-tert-butylazepan-1-yl)-2-methyl-2-(methylamino)hexan-1-ol
CID 64826441
6-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64791917
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 65286449
4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825168
2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutan-1-ol
CID 64791805
5-(3-ethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64797909
5-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 102968926
5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 104969013

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol (CID 64787040) is 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol is CC(C)NC(C)(CO)CCN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is VSNLWWSLLSDPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-14(2)18-17(6,13-20)9-12-19-10-7-15(8-11-19)16(3,4)5/h14-15,18,20H,7-13H2,1-6H3.
What are the key properties of 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol?
4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 284.49 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64787040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).