1-[4-[(4-propylcyclohexyl)amino]piperidin-1-yl]ethanone

C16H30N2O — CID 43224264

IUPAC1-[4-[(4-propylcyclohexyl)amino]piperidin-1-yl]ethanone
SMILESCCCC1CCC(NC2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C16H30N2O/c1-3-4-14-5-7-15(8-6-14)17-16-9-11-18(12-10-16)13(2)19/h14-17H,3-12H2,1-2H3
InChIKeyAHKRKGNNOBSIGZ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.95
Rot. Bonds4

About 1-[4-[(4-propylcyclohexyl)amino]piperidin-1-yl]ethanone

1-[4-[(4-propylcyclohexyl)amino]piperidin-1-yl]ethanone (PubChem CID 43224264) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[4-[(4-propylcyclohexyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-propylcyclohexyl)amino]piperidin-1-yl]ethanone
PubChem CID43224264
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-[4-[(4-propylcyclohexyl)amino]piperidin-1-yl]ethanone
SMILESCCCC1CCC(NC2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C16H30N2O/c1-3-4-14-5-7-15(8-6-14)17-16-9-11-18(12-10-16)13(2)19/h14-17H,3-12H2,1-2H3
InChIKeyAHKRKGNNOBSIGZ-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]ethanone
CID 83991628
ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
CID 166152008
1-ethyl-N-(4-propylcyclohexyl)piperidin-4-amine
CID 60663750
1-[4-(cyclopentylamino)piperidin-1-yl]ethanone
CID 43222863
1-(4-heptylpiperidin-1-yl)ethanone
CID 155216374
4-methyl-N-(4-propylcyclohexyl)piperidine-1-carboxamide
CID 115590990
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278
1-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43223565
1-(4-aminopiperidin-1-yl)ethanone;pentane
CID 142969821
1-[4-[3-(methylamino)propyl]piperidin-1-yl]ethanone
CID 166684108
ethane;methyl 4-propylpiperidine-1-carboxylate
CID 145047424
1-butyl-N-(4-propylcycloheptyl)piperidin-4-amine
CID 65091542

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-propylcyclohexyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(4-propylcyclohexyl)amino]piperidin-1-yl]ethanone (CID 43224264) is 1-[4-[(4-propylcyclohexyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-propylcyclohexyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(4-propylcyclohexyl)amino]piperidin-1-yl]ethanone is CCCC1CCC(NC2CCN(C(C)=O)CC2)CC1.
What is the InChIKey of 1-[4-[(4-propylcyclohexyl)amino]piperidin-1-yl]ethanone?
The InChIKey is AHKRKGNNOBSIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-4-14-5-7-15(8-6-14)17-16-9-11-18(12-10-16)13(2)19/h14-17H,3-12H2,1-2H3.
What are the key properties of 1-[4-[(4-propylcyclohexyl)amino]piperidin-1-yl]ethanone?
1-[4-[(4-propylcyclohexyl)amino]piperidin-1-yl]ethanone has a molecular weight of 266.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-propylcyclohexyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43224264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).