[1-[(4-chloro-2-fluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride

C14H21Cl2FN2 — CID 120841141

IUPAC[1-[(4-chloro-2-fluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
SMILESCC1CCCN(Cc2ccc(Cl)cc2F)C1CN.Cl
InChIInChI=1S/C14H20ClFN2.ClH/c1-10-3-2-6-18(14(10)8-17)9-11-4-5-12(15)7-13(11)16;/h4-5,7,10,14H,2-3,6,8-9,17H2,1H3;1H
InChIKeyUODXDYKOJWUARC-UHFFFAOYSA-N
MW307.24 g/mol
LogP3.46
Rot. Bonds3

About [1-[(4-chloro-2-fluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride

[1-[(4-chloro-2-fluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride (PubChem CID 120841141) has the molecular formula C14H21Cl2FN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is [1-[(4-chloro-2-fluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(4-chloro-2-fluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
PubChem CID120841141
Molecular FormulaC14H21Cl2FN2
Molecular Weight307.24 g/mol
Exact Mass306.11
IUPAC Name[1-[(4-chloro-2-fluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
SMILESCC1CCCN(Cc2ccc(Cl)cc2F)C1CN.Cl
InChIInChI=1S/C14H20ClFN2.ClH/c1-10-3-2-6-18(14(10)8-17)9-11-4-5-12(15)7-13(11)16;/h4-5,7,10,14H,2-3,6,8-9,17H2,1H3;1H
InChIKeyUODXDYKOJWUARC-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(4-chloro-2-fluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-2-fluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(4-chloro-2-fluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride (CID 120841141) is [1-[(4-chloro-2-fluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(4-chloro-2-fluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(4-chloro-2-fluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride is CC1CCCN(Cc2ccc(Cl)cc2F)C1CN.Cl.
What is the InChIKey of [1-[(4-chloro-2-fluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride?
The InChIKey is UODXDYKOJWUARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2.ClH/c1-10-3-2-6-18(14(10)8-17)9-11-4-5-12(15)7-13(11)16;/h4-5,7,10,14H,2-3,6,8-9,17H2,1H3;1H.
What are the key properties of [1-[(4-chloro-2-fluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride?
[1-[(4-chloro-2-fluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride has a molecular weight of 307.24 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chloro-2-fluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120841141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).