1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone

C16H30N2O2 — CID 65116415

IUPAC1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
SMILESCCC1CCC(O)(CNC2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C16H30N2O2/c1-3-14-4-8-16(20,9-5-14)12-17-15-6-10-18(11-7-15)13(2)19/h14-15,17,20H,3-12H2,1-2H3
InChIKeyNYVSNAMWZRWJEE-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.92
Rot. Bonds4

About 1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone

1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone (PubChem CID 65116415) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
PubChem CID65116415
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
SMILESCCC1CCC(O)(CNC2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C16H30N2O2/c1-3-14-4-8-16(20,9-5-14)12-17-15-6-10-18(11-7-15)13(2)19/h14-15,17,20H,3-12H2,1-2H3
InChIKeyNYVSNAMWZRWJEE-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

4-ethyl-1-[[(4-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65116333
4-ethyl-1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-ol
CID 65116040
1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65116174
ethyl 4-[(1-hydroxycycloheptyl)methylamino]piperidine-1-carboxylate
CID 60710956
4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 65116235
1-[4-[(1-propan-2-ylcyclopropyl)methylamino]piperidin-1-yl]ethanone
CID 103743396
1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone
CID 113293617
4-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 83190034
2-(cyclopentylamino)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide
CID 65120006
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65124264
1-[4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]piperidin-1-yl]ethanone
CID 107268371
1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 65106934

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone (CID 65116415) is 1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone is CCC1CCC(O)(CNC2CCN(C(C)=O)CC2)CC1.
What is the InChIKey of 1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is NYVSNAMWZRWJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-14-4-8-16(20,9-5-14)12-17-15-6-10-18(11-7-15)13(2)19/h14-15,17,20H,3-12H2,1-2H3.
What are the key properties of 1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone?
1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 282.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 65116415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).