1-(2-fluorophenyl)-N-[(1S)-1-pyridin-2-ylpropyl]piperidin-4-amine

C19H24FN3 — CID 95188661

IUPAC1-(2-fluorophenyl)-N-[(1S)-1-pyridin-2-ylpropyl]piperidin-4-amine
SMILESCC[C@H](NC1CCN(c2ccccc2F)CC1)c1ccccn1
InChIInChI=1S/C19H24FN3/c1-2-17(18-8-5-6-12-21-18)22-15-10-13-23(14-11-15)19-9-4-3-7-16(19)20/h3-9,12,15,17,22H,2,10-11,13-14H2,1H3/t17-/m0/s1
InChIKeyBCAIAWPBBIXWRN-KRWDZBQOSA-N
MW313.42 g/mol
LogP3.93
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[(1S)-1-pyridin-2-ylpropyl]piperidin-4-amine

1-(2-fluorophenyl)-N-[(1S)-1-pyridin-2-ylpropyl]piperidin-4-amine (PubChem CID 95188661) has the molecular formula C19H24FN3 and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(1S)-1-pyridin-2-ylpropyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(1S)-1-pyridin-2-ylpropyl]piperidin-4-amine
PubChem CID95188661
Molecular FormulaC19H24FN3
Molecular Weight313.42 g/mol
Exact Mass313.20
IUPAC Name1-(2-fluorophenyl)-N-[(1S)-1-pyridin-2-ylpropyl]piperidin-4-amine
SMILESCC[C@H](NC1CCN(c2ccccc2F)CC1)c1ccccn1
InChIInChI=1S/C19H24FN3/c1-2-17(18-8-5-6-12-21-18)22-15-10-13-23(14-11-15)19-9-4-3-7-16(19)20/h3-9,12,15,17,22H,2,10-11,13-14H2,1H3/t17-/m0/s1
InChIKeyBCAIAWPBBIXWRN-KRWDZBQOSA-N
XLogP3.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]piperidin-4-amine
CID 95194053
N-[1-(2-fluorophenyl)piperidin-4-yl]pyrimidin-2-amine
CID 141014633
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-fluorophenyl)piperidin-4-amine
CID 125437238
1-ethyl-N-[(1R)-1-(2-fluorophenyl)propyl]piperidin-4-amine
CID 99717003
N-cyclohexyl-1-(2-fluorophenyl)piperidin-4-amine
CID 66872138
1-phenyl-N-[(1R)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 106820380
1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)piperidin-4-amine
CID 43343781
N-[(1S)-1-phenylpropyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 96531141
1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine
CID 1437638
1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 17152735
N-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675609

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(1S)-1-pyridin-2-ylpropyl]piperidin-4-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-[(1S)-1-pyridin-2-ylpropyl]piperidin-4-amine (CID 95188661) is 1-(2-fluorophenyl)-N-[(1S)-1-pyridin-2-ylpropyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(1S)-1-pyridin-2-ylpropyl]piperidin-4-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(1S)-1-pyridin-2-ylpropyl]piperidin-4-amine is CC[C@H](NC1CCN(c2ccccc2F)CC1)c1ccccn1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(1S)-1-pyridin-2-ylpropyl]piperidin-4-amine?
The InChIKey is BCAIAWPBBIXWRN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24FN3/c1-2-17(18-8-5-6-12-21-18)22-15-10-13-23(14-11-15)19-9-4-3-7-16(19)20/h3-9,12,15,17,22H,2,10-11,13-14H2,1H3/t17-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-N-[(1S)-1-pyridin-2-ylpropyl]piperidin-4-amine?
1-(2-fluorophenyl)-N-[(1S)-1-pyridin-2-ylpropyl]piperidin-4-amine has a molecular weight of 313.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(1S)-1-pyridin-2-ylpropyl]piperidin-4-amine is sourced from PubChem (CID 95188661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).