2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate

C20H35NO2 — CID 21788

IUPAC2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate
SMILESO=C(OCCN1CCCCC1)C1(C2CCCCC2)CCCCC1
InChIInChI=1S/C20H35NO2/c22-19(23-17-16-21-14-8-3-9-15-21)20(12-6-2-7-13-20)18-10-4-1-5-11-18/h18H,1-17H2
InChIKeyMNSQDVCVWNXBFQ-UHFFFAOYSA-N
MW321.51 g/mol
LogP4.55
Rot. Bonds5

About 2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate

2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate (PubChem CID 21788) has the molecular formula C20H35NO2 and a molecular weight of 321.51 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate
PubChem CID21788
Molecular FormulaC20H35NO2
Molecular Weight321.51 g/mol
Exact Mass321.27
IUPAC Name2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate
SMILESO=C(OCCN1CCCCC1)C1(C2CCCCC2)CCCCC1
InChIInChI=1S/C20H35NO2/c22-19(23-17-16-21-14-8-3-9-15-21)20(12-6-2-7-13-20)18-10-4-1-5-11-18/h18H,1-17H2
InChIKeyMNSQDVCVWNXBFQ-UHFFFAOYSA-N
XLogP4.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dicyclomine
CID 3042
Dicyclomine Hydrochloride
CID 441344
2-Piperidin-1-ium-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate;chloride
CID 21787
2-(4-Methyl-1-piperazinyl)ethyl (1,1'-bicyclohexyl)-1-carboxylate
CID 198946
Amantanium Bromide
CID 168906
Dihexyverine Hydrochloride
CID 5744890
2-(Azepan-1-yl)ethyl adamantane-1-carboxylate;hydrochloride
CID 13586693
2-(Azepan-1-yl)ethyl 2,2-dicyclohexylacetate;hydrochloride
CID 49860582
Ethyl 4-cyclohexyl-1-(2-cyclohexylacetyl)piperidine-4-carboxylate
CID 172433353
Diponium
CID 194071
Amantanium
CID 168907
2-(Adamantane-1-carbonyloxy)ethyl-triethylazanium
CID 3041447

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate?
The IUPAC name of 2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate (CID 21788) is 2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate.
What is the SMILES notation for 2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate?
The canonical SMILES for 2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate is O=C(OCCN1CCCCC1)C1(C2CCCCC2)CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate?
The InChIKey is MNSQDVCVWNXBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2/c22-19(23-17-16-21-14-8-3-9-15-21)20(12-6-2-7-13-20)18-10-4-1-5-11-18/h18H,1-17H2.
What are the key properties of 2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate?
2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate has a molecular weight of 321.51 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate is sourced from PubChem (CID 21788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).