N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine

C14H20ClFN2 — CID 106623709

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
SMILESCN(Cc1ccc(F)c(Cl)c1)CC1CCCNC1
InChIInChI=1S/C14H20ClFN2/c1-18(10-12-3-2-6-17-8-12)9-11-4-5-14(16)13(15)7-11/h4-5,7,12,17H,2-3,6,8-10H2,1H3
InChIKeyLDJIORZSDFYURL-UHFFFAOYSA-N
MW270.78 g/mol
LogP2.91
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine

N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine (PubChem CID 106623709) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
PubChem CID106623709
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
SMILESCN(Cc1ccc(F)c(Cl)c1)CC1CCCNC1
InChIInChI=1S/C14H20ClFN2/c1-18(10-12-3-2-6-17-8-12)9-11-4-5-14(16)13(15)7-11/h4-5,7,12,17H,2-3,6,8-10H2,1H3
InChIKeyLDJIORZSDFYURL-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-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 104870292
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120849776
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 107692165
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815646
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120850156
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 106623790
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 19358411
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-[(3S)-piperidin-3-yl]methanamine
CID 97164520
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 71642200
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 113267788

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine (CID 106623709) is N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine is CN(Cc1ccc(F)c(Cl)c1)CC1CCCNC1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The InChIKey is LDJIORZSDFYURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-18(10-12-3-2-6-17-8-12)9-11-4-5-14(16)13(15)7-11/h4-5,7,12,17H,2-3,6,8-10H2,1H3.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine 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-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 106623709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).