(3-aminocyclopentyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride

C18H33ClN2O2 — CID 119779813

IUPAC(3-aminocyclopentyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride
SMILESCC1CCC(OC2CCN(C(=O)C3CCC(N)C3)CC2)CC1.Cl
InChIInChI=1S/C18H32N2O2.ClH/c1-13-2-6-16(7-3-13)22-17-8-10-20(11-9-17)18(21)14-4-5-15(19)12-14;/h13-17H,2-12,19H2,1H3;1H
InChIKeyMRNGATNPKVMIBZ-UHFFFAOYSA-N
MW344.93 g/mol
LogP3.12
Rot. Bonds3

About (3-aminocyclopentyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride

(3-aminocyclopentyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride (PubChem CID 119779813) has the molecular formula C18H33ClN2O2 and a molecular weight of 344.93 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride
PubChem CID119779813
Molecular FormulaC18H33ClN2O2
Molecular Weight344.93 g/mol
Exact Mass344.22
IUPAC Name(3-aminocyclopentyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride
SMILESCC1CCC(OC2CCN(C(=O)C3CCC(N)C3)CC2)CC1.Cl
InChIInChI=1S/C18H32N2O2.ClH/c1-13-2-6-16(7-3-13)22-17-8-10-20(11-9-17)18(21)14-4-5-15(19)12-14;/h13-17H,2-12,19H2,1H3;1H
InChIKeyMRNGATNPKVMIBZ-UHFFFAOYSA-N
XLogP3.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.93
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-aminocyclopentyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride (CID 119779813) is (3-aminocyclopentyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclopentyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminocyclopentyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride is CC1CCC(OC2CCN(C(=O)C3CCC(N)C3)CC2)CC1.Cl.
What is the InChIKey of (3-aminocyclopentyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride?
The InChIKey is MRNGATNPKVMIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2.ClH/c1-13-2-6-16(7-3-13)22-17-8-10-20(11-9-17)18(21)14-4-5-15(19)12-14;/h13-17H,2-12,19H2,1H3;1H.
What are the key properties of (3-aminocyclopentyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride?
(3-aminocyclopentyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride has a molecular weight of 344.93 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119779813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).