1-(4-chlorophenyl)-2-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-ol;hydrochloride

C21H33Cl2NO — CID 140989276

IUPAC1-(4-chlorophenyl)-2-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-ol;hydrochloride
SMILESCC(C(O)c1ccc(Cl)cc1)N1CCC(CC2CCCCC2)CC1.Cl
InChIInChI=1S/C21H32ClNO.ClH/c1-16(21(24)19-7-9-20(22)10-8-19)23-13-11-18(12-14-23)15-17-5-3-2-4-6-17;/h7-10,16-18,21,24H,2-6,11-15H2,1H3;1H
InChIKeyNIMQNCHJMNTXLX-UHFFFAOYSA-N
MW386.41 g/mol
LogP5.87
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-ol;hydrochloride

1-(4-chlorophenyl)-2-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-ol;hydrochloride (PubChem CID 140989276) has the molecular formula C21H33Cl2NO and a molecular weight of 386.41 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-ol;hydrochloride
PubChem CID140989276
Molecular FormulaC21H33Cl2NO
Molecular Weight386.41 g/mol
Exact Mass385.19
IUPAC Name1-(4-chlorophenyl)-2-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-ol;hydrochloride
SMILESCC(C(O)c1ccc(Cl)cc1)N1CCC(CC2CCCCC2)CC1.Cl
InChIInChI=1S/C21H32ClNO.ClH/c1-16(21(24)19-7-9-20(22)10-8-19)23-13-11-18(12-14-23)15-17-5-3-2-4-6-17;/h7-10,16-18,21,24H,2-6,11-15H2,1H3;1H
InChIKeyNIMQNCHJMNTXLX-UHFFFAOYSA-N
XLogP5.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.41
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol
CID 177420176
1-(4-methylphenyl)-2-(4-propylpiperidin-1-yl)propan-1-ol
CID 62205059
4-[2-[4-[(3-cyclohexylphenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]phenol
CID 71008556
(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol
CID 45258690
1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-1-ol
CID 111478453
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol
CID 103857720
1-(4-chlorophenyl)-3-cyclohexylpropan-1-ol
CID 55197705
1-(4-chlorophenyl)-N-(cyclohexylmethyl)-2-methylpropan-1-amine
CID 43234095
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 72844263
1-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-(2-phenylethyl)piperidin-4-ol
CID 54296941
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol
CID 64599486
1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55015385

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-ol;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-2-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-ol;hydrochloride (CID 140989276) is 1-(4-chlorophenyl)-2-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-ol;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-ol;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-2-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-ol;hydrochloride is CC(C(O)c1ccc(Cl)cc1)N1CCC(CC2CCCCC2)CC1.Cl.
What is the InChIKey of 1-(4-chlorophenyl)-2-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-ol;hydrochloride?
The InChIKey is NIMQNCHJMNTXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32ClNO.ClH/c1-16(21(24)19-7-9-20(22)10-8-19)23-13-11-18(12-14-23)15-17-5-3-2-4-6-17;/h7-10,16-18,21,24H,2-6,11-15H2,1H3;1H.
What are the key properties of 1-(4-chlorophenyl)-2-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-ol;hydrochloride?
1-(4-chlorophenyl)-2-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-ol;hydrochloride has a molecular weight of 386.41 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-ol;hydrochloride is sourced from PubChem (CID 140989276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).