[5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol

C14H21ClN2O — CID 114845156

IUPAC[5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol
SMILESCN1CCC(N(C)c2ccc(Cl)cc2CO)CC1
InChIInChI=1S/C14H21ClN2O/c1-16-7-5-13(6-8-16)17(2)14-4-3-12(15)9-11(14)10-18/h3-4,9,13,18H,5-8,10H2,1-2H3
InChIKeySHDLHCYEAOWKLS-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.36
Rot. Bonds3

About [5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol

[5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol (PubChem CID 114845156) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol
PubChem CID114845156
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol
SMILESCN1CCC(N(C)c2ccc(Cl)cc2CO)CC1
InChIInChI=1S/C14H21ClN2O/c1-16-7-5-13(6-8-16)17(2)14-4-3-12(15)9-11(14)10-18/h3-4,9,13,18H,5-8,10H2,1-2H3
InChIKeySHDLHCYEAOWKLS-UHFFFAOYSA-N
XLogP2.36
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol
CID 114845206
N-[4-chloro-2-[(propan-2-ylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 114847469
[5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 114845376
4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid
CID 55181948
2-(aminomethyl)-4-chloro-N-cyclopropyl-N-methylaniline
CID 62493641
N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 107082125
N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine
CID 43313518
4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzonitrile
CID 63094075
N-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114861329
N-[2-(2-aminoethyl)-4-chlorophenyl]-N,1-dimethylpiperidin-3-amine
CID 114860797
[5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol
CID 114845155
N-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114850104

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol?
The IUPAC name of [5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol (CID 114845156) is [5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol.
What is the SMILES notation for [5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol?
The canonical SMILES for [5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol is CN1CCC(N(C)c2ccc(Cl)cc2CO)CC1.
What is the InChIKey of [5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol?
The InChIKey is SHDLHCYEAOWKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-16-7-5-13(6-8-16)17(2)14-4-3-12(15)9-11(14)10-18/h3-4,9,13,18H,5-8,10H2,1-2H3.
What are the key properties of [5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol?
[5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol has a molecular weight of 268.79 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol is sourced from PubChem (CID 114845156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).