1-[5-chloro-2-(methylaminomethyl)phenyl]-3-methylpiperidin-4-ol

C14H21ClN2O — CID 114853985

IUPAC1-[5-chloro-2-(methylaminomethyl)phenyl]-3-methylpiperidin-4-ol
SMILESCNCc1ccc(Cl)cc1N1CCC(O)C(C)C1
InChIInChI=1S/C14H21ClN2O/c1-10-9-17(6-5-14(10)18)13-7-12(15)4-3-11(13)8-16-2/h3-4,7,10,14,16,18H,5-6,8-9H2,1-2H3
InChIKeyNAVZGTKXQVZNNN-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.27
Rot. Bonds3

About 1-[5-chloro-2-(methylaminomethyl)phenyl]-3-methylpiperidin-4-ol

1-[5-chloro-2-(methylaminomethyl)phenyl]-3-methylpiperidin-4-ol (PubChem CID 114853985) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[5-chloro-2-(methylaminomethyl)phenyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[5-chloro-2-(methylaminomethyl)phenyl]-3-methylpiperidin-4-ol
PubChem CID114853985
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[5-chloro-2-(methylaminomethyl)phenyl]-3-methylpiperidin-4-ol
SMILESCNCc1ccc(Cl)cc1N1CCC(O)C(C)C1
InChIInChI=1S/C14H21ClN2O/c1-10-9-17(6-5-14(10)18)13-7-12(15)4-3-11(13)8-16-2/h3-4,7,10,14,16,18H,5-6,8-9H2,1-2H3
InChIKeyNAVZGTKXQVZNNN-UHFFFAOYSA-N
XLogP2.27
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-2-(3,4-dimethylpiperidin-1-yl)phenyl]-N-methylmethanamine
CID 114853729
2-[5-chloro-2-(methylaminomethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 114853359
1-[4-chloro-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylmethanamine
CID 114851558
1-[2-(bromomethyl)-5-chlorophenyl]-3,4-dimethylpiperidine
CID 107085230
4-chloro-N'-hydroxy-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678753
1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 114851050
2-[4-[5-chloro-2-(methylaminomethyl)phenyl]-1,4-diazepan-1-yl]ethanol
CID 107223737
N-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114847342
1-[1-[5-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853249
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499371
1-[5-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]-N-methylmethanamine
CID 114853468
1-[2-[(tert-butylamino)methyl]-5-chlorophenyl]pyrrolidine-3,4-diol
CID 106670521

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(methylaminomethyl)phenyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[5-chloro-2-(methylaminomethyl)phenyl]-3-methylpiperidin-4-ol (CID 114853985) is 1-[5-chloro-2-(methylaminomethyl)phenyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[5-chloro-2-(methylaminomethyl)phenyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[5-chloro-2-(methylaminomethyl)phenyl]-3-methylpiperidin-4-ol is CNCc1ccc(Cl)cc1N1CCC(O)C(C)C1.
What is the InChIKey of 1-[5-chloro-2-(methylaminomethyl)phenyl]-3-methylpiperidin-4-ol?
The InChIKey is NAVZGTKXQVZNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10-9-17(6-5-14(10)18)13-7-12(15)4-3-11(13)8-16-2/h3-4,7,10,14,16,18H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(methylaminomethyl)phenyl]-3-methylpiperidin-4-ol?
1-[5-chloro-2-(methylaminomethyl)phenyl]-3-methylpiperidin-4-ol has a molecular weight of 268.79 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(methylaminomethyl)phenyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114853985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).