[4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride

C13H21ClN2O — CID 21193427

IUPAC[4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride
SMILESCc1cccc(NC2(CO)CCNCC2)c1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-11-3-2-4-12(9-11)15-13(10-16)5-7-14-8-6-13;/h2-4,9,14-16H,5-8,10H2,1H3;1H
InChIKeyKJJRSUZIMLSLHY-UHFFFAOYSA-N
MW256.78 g/mol
LogP1.94
Rot. Bonds3

About [4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride

[4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride (PubChem CID 21193427) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is [4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride
PubChem CID21193427
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name[4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride
SMILESCc1cccc(NC2(CO)CCNCC2)c1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-11-3-2-4-12(9-11)15-13(10-16)5-7-14-8-6-13;/h2-4,9,14-16H,5-8,10H2,1H3;1H
InChIKeyKJJRSUZIMLSLHY-UHFFFAOYSA-N
XLogP1.94
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-fluoroanilino)piperidin-4-yl]methanol
CID 61243193
[4-(3-chloroanilino)piperidin-4-yl]methanol
CID 61242648
[4-(4-bromoanilino)piperidin-4-yl]methanol
CID 61243008
[4-(3-methylanilino)-1-propylazepan-4-yl]methanol
CID 65076521
4-(hydroxymethyl)-N,N-dimethyl-4-(3-methylanilino)piperidine-1-carboxamide
CID 83269410
3-[[1-(hydroxymethyl)cyclopropyl]amino]benzonitrile
CID 102817459
3-methyl-4-(3-methylanilino)piperidine-4-carboxylic acid
CID 114500554
3-[(3-methylanilino)methyl]pyrrolidin-3-ol
CID 105459326
4-(aminomethyl)-N-phenylpiperidin-4-amine
CID 3019514
[2,4,4-trimethyl-1-(3-methylanilino)cyclopentyl]methanol
CID 106664005
4-(3-methylanilino)thiane-4-carboxylic acid
CID 55137542
3-(3-methylanilino)piperidine-3-carbonitrile
CID 79307148

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride?
The IUPAC name of [4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride (CID 21193427) is [4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride.
What is the SMILES notation for [4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride?
The canonical SMILES for [4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride is Cc1cccc(NC2(CO)CCNCC2)c1.Cl.
What is the InChIKey of [4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride?
The InChIKey is KJJRSUZIMLSLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-11-3-2-4-12(9-11)15-13(10-16)5-7-14-8-6-13;/h2-4,9,14-16H,5-8,10H2,1H3;1H.
What are the key properties of [4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride?
[4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride is sourced from PubChem (CID 21193427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).