[4-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride

C21H33ClN2O — CID 119517732

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
SMILESCc1ccccc1C1(C(=O)N2CCC(C(C)N)CC2)CCCCC1.Cl
InChIInChI=1S/C21H32N2O.ClH/c1-16-8-4-5-9-19(16)21(12-6-3-7-13-21)20(24)23-14-10-18(11-15-23)17(2)22;/h4-5,8-9,17-18H,3,6-7,10-15,22H2,1-2H3;1H
InChIKeyAGJZISBNGFWXIB-UHFFFAOYSA-N
MW364.96 g/mol
LogP4.20
Rot. Bonds3

About [4-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride

[4-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride (PubChem CID 119517732) has the molecular formula C21H33ClN2O and a molecular weight of 364.96 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
PubChem CID119517732
Molecular FormulaC21H33ClN2O
Molecular Weight364.96 g/mol
Exact Mass364.23
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
SMILESCc1ccccc1C1(C(=O)N2CCC(C(C)N)CC2)CCCCC1.Cl
InChIInChI=1S/C21H32N2O.ClH/c1-16-8-4-5-9-19(16)21(12-6-3-7-13-21)20(24)23-14-10-18(11-15-23)17(2)22;/h4-5,8-9,17-18H,3,6-7,10-15,22H2,1-2H3;1H
InChIKeyAGJZISBNGFWXIB-UHFFFAOYSA-N
XLogP4.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.96
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride with MolForge

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119519335
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-fluorophenyl)cyclohexyl]methanone;hydrochloride
CID 119517548
(3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119378259
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone;hydrochloride
CID 119519076
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119635994
[4-(1-aminoethyl)piperidin-1-yl]-(1-methylcyclopentyl)methanone;hydrochloride
CID 119520786
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylcyclopropyl)methanone;hydrochloride
CID 119519935
(3aR,7aS)-1-methyl-5-[1-(2-methylphenyl)cyclobutanecarbonyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 120963729
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone
CID 119516866
[3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119595244
1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-(2-methylphenyl)propan-1-one
CID 119519268
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one;hydrochloride
CID 119520075

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride (CID 119517732) is [4-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride is Cc1ccccc1C1(C(=O)N2CCC(C(C)N)CC2)CCCCC1.Cl.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride?
The InChIKey is AGJZISBNGFWXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O.ClH/c1-16-8-4-5-9-19(16)21(12-6-3-7-13-21)20(24)23-14-10-18(11-15-23)17(2)22;/h4-5,8-9,17-18H,3,6-7,10-15,22H2,1-2H3;1H.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride?
[4-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride has a molecular weight of 364.96 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride is sourced from PubChem (CID 119517732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).