3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride

C19H35ClN2O — CID 119623980

IUPAC3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
SMILESCC(CC1CCCCC1)C(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C19H34N2O.ClH/c1-15(13-16-5-3-2-4-6-16)19(22)21-11-9-18(10-12-21)20-14-17-7-8-17;/h15-18,20H,2-14H2,1H3;1H
InChIKeyFHSPRHAFKQZBAZ-UHFFFAOYSA-N
MW342.96 g/mol
LogP4.01
Rot. Bonds6

About 3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride

3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride (PubChem CID 119623980) has the molecular formula C19H35ClN2O and a molecular weight of 342.96 g/mol. Its IUPAC name is 3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
PubChem CID119623980
Molecular FormulaC19H35ClN2O
Molecular Weight342.96 g/mol
Exact Mass342.24
IUPAC Name3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
SMILESCC(CC1CCCCC1)C(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C19H34N2O.ClH/c1-15(13-16-5-3-2-4-6-16)19(22)21-11-9-18(10-12-21)20-14-17-7-8-17;/h15-18,20H,2-14H2,1H3;1H
InChIKeyFHSPRHAFKQZBAZ-UHFFFAOYSA-N
XLogP4.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.96
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclohexylmethyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 119623970
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
CID 119622420
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride
CID 119519329
(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 121230409
(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 121230377
3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119401435
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one
CID 119624807
3-cyclohexyl-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119397343
1-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119622385
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride
CID 119485730
2-cyclopentyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 81424496
cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483591

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride?
The IUPAC name of 3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride (CID 119623980) is 3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride?
The canonical SMILES for 3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride is CC(CC1CCCCC1)C(=O)N1CCC(NCC2CC2)CC1.Cl.
What is the InChIKey of 3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride?
The InChIKey is FHSPRHAFKQZBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O.ClH/c1-15(13-16-5-3-2-4-6-16)19(22)21-11-9-18(10-12-21)20-14-17-7-8-17;/h15-18,20H,2-14H2,1H3;1H.
What are the key properties of 3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride?
3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride has a molecular weight of 342.96 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride is sourced from PubChem (CID 119623980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).