1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine

C17H27FN2 — CID 120849617

IUPAC1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCC(C)C(c1ccc(F)cc1)N(C)CC1CCCNC1
InChIInChI=1S/C17H27FN2/c1-13(2)17(15-6-8-16(18)9-7-15)20(3)12-14-5-4-10-19-11-14/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3
InChIKeyOUDQNOSVFRAZQZ-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.45
Rot. Bonds5

About 1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine

1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine (PubChem CID 120849617) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine
PubChem CID120849617
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCC(C)C(c1ccc(F)cc1)N(C)CC1CCCNC1
InChIInChI=1S/C17H27FN2/c1-13(2)17(15-6-8-16(18)9-7-15)20(3)12-14-5-4-10-19-11-14/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3
InChIKeyOUDQNOSVFRAZQZ-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 106623943
1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906832
2-methyl-1-phenyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 106623958
1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine
CID 55016538
1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 120847721
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468
2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
CID 104870411
N-methyl-1-phenyl-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106623701
1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 112736627
5-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106642977
1-(2-fluorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106623894
N-methyl-1-(2-methylphenyl)-N-(piperidin-3-ylmethyl)propan-2-amine;hydrochloride
CID 120858044

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine (CID 120849617) is 1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine is CC(C)C(c1ccc(F)cc1)N(C)CC1CCCNC1.
What is the InChIKey of 1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine?
The InChIKey is OUDQNOSVFRAZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-13(2)17(15-6-8-16(18)9-7-15)20(3)12-14-5-4-10-19-11-14/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine?
1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine has a molecular weight of 278.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 120849617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).