1-(cyclohexylmethyl)-4-(3,3-dimethylbutoxy)piperidine

C18H35NO — CID 157464485

IUPAC1-(cyclohexylmethyl)-4-(3,3-dimethylbutoxy)piperidine
SMILESCC(C)(C)CCOC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C18H35NO/c1-18(2,3)11-14-20-17-9-12-19(13-10-17)15-16-7-5-4-6-8-16/h16-17H,4-15H2,1-3H3
InChIKeyGPKFYSWUSFGXJE-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.48
Rot. Bonds5

About 1-(cyclohexylmethyl)-4-(3,3-dimethylbutoxy)piperidine

1-(cyclohexylmethyl)-4-(3,3-dimethylbutoxy)piperidine (PubChem CID 157464485) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-(3,3-dimethylbutoxy)piperidine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-(3,3-dimethylbutoxy)piperidine
PubChem CID157464485
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1-(cyclohexylmethyl)-4-(3,3-dimethylbutoxy)piperidine
SMILESCC(C)(C)CCOC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C18H35NO/c1-18(2,3)11-14-20-17-9-12-19(13-10-17)15-16-7-5-4-6-8-16/h16-17H,4-15H2,1-3H3
InChIKeyGPKFYSWUSFGXJE-UHFFFAOYSA-N
XLogP4.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine
CID 70936687
1-tert-butyl-4-(cyclohexylmethyl)piperazine
CID 157130217
(3S)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine
CID 170651705
(3R)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine
CID 170651654
(3R)-1-(cyclopentylmethyl)-3-methoxypyrrolidine
CID 126986050
4-cyclohexyloxy-1-(piperidin-4-ylmethyl)piperidine
CID 119931133
2-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxyethanol;hydrochloride
CID 120851709
1-bromo-2-(3,3-dimethylbutoxy)cycloheptane
CID 66227351
1-(cyclohexylmethyl)-4-propylazepane
CID 70936958
2-(3,3-dimethylbutoxy)cyclooctan-1-amine
CID 66232018
1-[(4-propoxycyclohexyl)methyl]piperazine
CID 170953587
[4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 79527221

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-(3,3-dimethylbutoxy)piperidine?
The IUPAC name of 1-(cyclohexylmethyl)-4-(3,3-dimethylbutoxy)piperidine (CID 157464485) is 1-(cyclohexylmethyl)-4-(3,3-dimethylbutoxy)piperidine.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-(3,3-dimethylbutoxy)piperidine?
The canonical SMILES for 1-(cyclohexylmethyl)-4-(3,3-dimethylbutoxy)piperidine is CC(C)(C)CCOC1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-(3,3-dimethylbutoxy)piperidine?
The InChIKey is GPKFYSWUSFGXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-18(2,3)11-14-20-17-9-12-19(13-10-17)15-16-7-5-4-6-8-16/h16-17H,4-15H2,1-3H3.
What are the key properties of 1-(cyclohexylmethyl)-4-(3,3-dimethylbutoxy)piperidine?
1-(cyclohexylmethyl)-4-(3,3-dimethylbutoxy)piperidine has a molecular weight of 281.48 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-(3,3-dimethylbutoxy)piperidine is sourced from PubChem (CID 157464485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).