N-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine

C15H22ClFN2 — CID 114842146

IUPACN-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
SMILESCC(CNCc1ccc(Cl)cc1F)N1CCCCC1
InChIInChI=1S/C15H22ClFN2/c1-12(19-7-3-2-4-8-19)10-18-11-13-5-6-14(16)9-15(13)17/h5-6,9,12,18H,2-4,7-8,10-11H2,1H3
InChIKeyWIZUEQKQRFBXHI-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.44
Rot. Bonds5

About N-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine

N-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine (PubChem CID 114842146) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
PubChem CID114842146
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
SMILESCC(CNCc1ccc(Cl)cc1F)N1CCCCC1
InChIInChI=1S/C15H22ClFN2/c1-12(19-7-3-2-4-8-19)10-18-11-13-5-6-14(16)9-15(13)17/h5-6,9,12,18H,2-4,7-8,10-11H2,1H3
InChIKeyWIZUEQKQRFBXHI-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 114842325
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899450
N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 113222770
2-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 63051224
2,4-dichloro-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 78916433
2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol
CID 79831124
4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031098
2-chloro-N-[(4-chloro-2-fluorophenyl)methyl]butan-1-amine
CID 114859402
4-chloro-2-methoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 104663962
5-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031099
3-chloro-N'-hydroxy-4-[(2-pyrrolidin-1-ylpropylamino)methyl]benzenecarboximidamide
CID 102667377
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 60958068

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine (CID 114842146) is N-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine is CC(CNCc1ccc(Cl)cc1F)N1CCCCC1.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine?
The InChIKey is WIZUEQKQRFBXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-12(19-7-3-2-4-8-19)10-18-11-13-5-6-14(16)9-15(13)17/h5-6,9,12,18H,2-4,7-8,10-11H2,1H3.
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine?
N-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine has a molecular weight of 284.81 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 114842146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).