N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride

C14H22ClFN2 — CID 119929453

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
SMILESCN(Cc1cccc(F)c1)CC1CCCNC1.Cl
InChIInChI=1S/C14H21FN2.ClH/c1-17(11-13-5-3-7-16-9-13)10-12-4-2-6-14(15)8-12;/h2,4,6,8,13,16H,3,5,7,9-11H2,1H3;1H
InChIKeyCDHNKFTUUYVABX-UHFFFAOYSA-N
MW272.79 g/mol
LogP2.68
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride

N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride (PubChem CID 119929453) has the molecular formula C14H22ClFN2 and a molecular weight of 272.79 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
PubChem CID119929453
Molecular FormulaC14H22ClFN2
Molecular Weight272.79 g/mol
Exact Mass272.15
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
SMILESCN(Cc1cccc(F)c1)CC1CCCNC1.Cl
InChIInChI=1S/C14H21FN2.ClH/c1-17(11-13-5-3-7-16-9-13)10-12-4-2-6-14(15)8-12;/h2,4,6,8,13,16H,3,5,7,9-11H2,1H3;1H
InChIKeyCDHNKFTUUYVABX-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.79
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 119930674
N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 103815912
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 104870292
2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 107692165
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623709
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815646
N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623795
1-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
CID 106625188
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
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-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 19358411

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride (CID 119929453) is N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride is CN(Cc1cccc(F)c1)CC1CCCNC1.Cl.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride?
The InChIKey is CDHNKFTUUYVABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2.ClH/c1-17(11-13-5-3-7-16-9-13)10-12-4-2-6-14(15)8-12;/h2,4,6,8,13,16H,3,5,7,9-11H2,1H3;1H.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride?
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride has a molecular weight of 272.79 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 119929453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).