1-[4-[1-[(1-tert-butylcyclopropyl)methoxy]propan-2-yl]cyclohexyl]piperidine

C22H41NO — CID 138672420

IUPAC1-[4-[1-[(1-tert-butylcyclopropyl)methoxy]propan-2-yl]cyclohexyl]piperidine
SMILESCC(COCC1(C(C)(C)C)CC1)C1CCC(N2CCCCC2)CC1
InChIInChI=1S/C22H41NO/c1-18(16-24-17-22(12-13-22)21(2,3)4)19-8-10-20(11-9-19)23-14-6-5-7-15-23/h18-20H,5-17H2,1-4H3
InChIKeyQFQQILBYUFSPEX-UHFFFAOYSA-N
MW335.58 g/mol
LogP5.51
Rot. Bonds6

About 1-[4-[1-[(1-tert-butylcyclopropyl)methoxy]propan-2-yl]cyclohexyl]piperidine

1-[4-[1-[(1-tert-butylcyclopropyl)methoxy]propan-2-yl]cyclohexyl]piperidine (PubChem CID 138672420) has the molecular formula C22H41NO and a molecular weight of 335.58 g/mol. Its IUPAC name is 1-[4-[1-[(1-tert-butylcyclopropyl)methoxy]propan-2-yl]cyclohexyl]piperidine.

Molecular Properties

Compound Name1-[4-[1-[(1-tert-butylcyclopropyl)methoxy]propan-2-yl]cyclohexyl]piperidine
PubChem CID138672420
Molecular FormulaC22H41NO
Molecular Weight335.58 g/mol
Exact Mass335.32
IUPAC Name1-[4-[1-[(1-tert-butylcyclopropyl)methoxy]propan-2-yl]cyclohexyl]piperidine
SMILESCC(COCC1(C(C)(C)C)CC1)C1CCC(N2CCCCC2)CC1
InChIInChI=1S/C22H41NO/c1-18(16-24-17-22(12-13-22)21(2,3)4)19-8-10-20(11-9-19)23-14-6-5-7-15-23/h18-20H,5-17H2,1-4H3
InChIKeyQFQQILBYUFSPEX-UHFFFAOYSA-N
XLogP5.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[1-[(1-tert-butylcyclopropyl)methoxy]propan-2-yl]cyclohexyl]piperidine with MolForge

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Related Compounds

1-cyclopropylpiperidine
CID 10909573
1-[4-(2,2-dimethylpropyl)cyclohexyl]piperidine
CID 158827184
7-(4-butan-2-ylcyclohexyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 176983528
1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine
CID 122502417
4-piperidin-1-yl-N-propan-2-ylcyclohexan-1-amine
CID 115906137
(4-piperidin-1-ylcyclohexyl) 2-methylpropanoate
CID 15223
1-cyclohexylazetidine;2-methylpropane
CID 178017193
1-(4-piperidin-1-ylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 60966443
2-methyl-3-(4-piperidin-1-ylcyclohexyl)propanoic acid
CID 90470018
2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 58584550
1-cyclohexylazocane
CID 23151203
1-cyclooctylpiperidine
CID 89210756

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[(1-tert-butylcyclopropyl)methoxy]propan-2-yl]cyclohexyl]piperidine?
The IUPAC name of 1-[4-[1-[(1-tert-butylcyclopropyl)methoxy]propan-2-yl]cyclohexyl]piperidine (CID 138672420) is 1-[4-[1-[(1-tert-butylcyclopropyl)methoxy]propan-2-yl]cyclohexyl]piperidine.
What is the SMILES notation for 1-[4-[1-[(1-tert-butylcyclopropyl)methoxy]propan-2-yl]cyclohexyl]piperidine?
The canonical SMILES for 1-[4-[1-[(1-tert-butylcyclopropyl)methoxy]propan-2-yl]cyclohexyl]piperidine is CC(COCC1(C(C)(C)C)CC1)C1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-[4-[1-[(1-tert-butylcyclopropyl)methoxy]propan-2-yl]cyclohexyl]piperidine?
The InChIKey is QFQQILBYUFSPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO/c1-18(16-24-17-22(12-13-22)21(2,3)4)19-8-10-20(11-9-19)23-14-6-5-7-15-23/h18-20H,5-17H2,1-4H3.
What are the key properties of 1-[4-[1-[(1-tert-butylcyclopropyl)methoxy]propan-2-yl]cyclohexyl]piperidine?
1-[4-[1-[(1-tert-butylcyclopropyl)methoxy]propan-2-yl]cyclohexyl]piperidine has a molecular weight of 335.58 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[(1-tert-butylcyclopropyl)methoxy]propan-2-yl]cyclohexyl]piperidine is sourced from PubChem (CID 138672420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).