N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine

C14H20ClFN2 — CID 102615607

IUPACN-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
SMILESCN1CCC(CNCc2cc(F)ccc2Cl)CC1
InChIInChI=1S/C14H20ClFN2/c1-18-6-4-11(5-7-18)9-17-10-12-8-13(16)2-3-14(12)15/h2-3,8,11,17H,4-7,9-10H2,1H3
InChIKeyQOITUGHICQHOIN-UHFFFAOYSA-N
MW270.78 g/mol
LogP2.91
Rot. Bonds4

About N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine

N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine (PubChem CID 102615607) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
PubChem CID102615607
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC NameN-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
SMILESCN1CCC(CNCc2cc(F)ccc2Cl)CC1
InChIInChI=1S/C14H20ClFN2/c1-18-6-4-11(5-7-18)9-17-10-12-8-13(16)2-3-14(12)15/h2-3,8,11,17H,4-7,9-10H2,1H3
InChIKeyQOITUGHICQHOIN-UHFFFAOYSA-N
XLogP2.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-chlorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 103792951
N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
CID 102615523
N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 114138263
N-[(4-bromo-2-chlorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 115653420
4-fluoro-2-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]benzonitrile
CID 107903932
N-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615001
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 115634960
1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115968095
1-(2-chlorocyclopentyl)-N-[(2-chloro-5-fluorophenyl)methyl]methanamine
CID 102620173
2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol
CID 112606713
2,6-dichloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 83076576
4-methyl-2-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol
CID 63324621

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine (CID 102615607) is N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine is CN1CCC(CNCc2cc(F)ccc2Cl)CC1.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine?
The InChIKey is QOITUGHICQHOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-18-6-4-11(5-7-18)9-17-10-12-8-13(16)2-3-14(12)15/h2-3,8,11,17H,4-7,9-10H2,1H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine?
N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine has a molecular weight of 270.78 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine is sourced from PubChem (CID 102615607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).