N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-fluorophenyl)piperidin-4-amine

C19H25FN4 — CID 125437238

IUPACN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-fluorophenyl)piperidin-4-amine
SMILESCn1ccnc1[C@@H](NC1CCN(c2ccccc2F)CC1)C1CC1
InChIInChI=1S/C19H25FN4/c1-23-13-10-21-19(23)18(14-6-7-14)22-15-8-11-24(12-9-15)17-5-3-2-4-16(17)20/h2-5,10,13-15,18,22H,6-9,11-12H2,1H3/t18-/m0/s1
InChIKeyFBIOAKVFMPGJMN-SFHVURJKSA-N
MW328.44 g/mol
LogP3.27
Rot. Bonds5

About N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-fluorophenyl)piperidin-4-amine

N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-fluorophenyl)piperidin-4-amine (PubChem CID 125437238) has the molecular formula C19H25FN4 and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-fluorophenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-fluorophenyl)piperidin-4-amine
PubChem CID125437238
Molecular FormulaC19H25FN4
Molecular Weight328.44 g/mol
Exact Mass328.21
IUPAC NameN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-fluorophenyl)piperidin-4-amine
SMILESCn1ccnc1[C@@H](NC1CCN(c2ccccc2F)CC1)C1CC1
InChIInChI=1S/C19H25FN4/c1-23-13-10-21-19(23)18(14-6-7-14)22-15-8-11-24(12-9-15)17-5-3-2-4-16(17)20/h2-5,10,13-15,18,22H,6-9,11-12H2,1H3/t18-/m0/s1
InChIKeyFBIOAKVFMPGJMN-SFHVURJKSA-N
XLogP3.27
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2,4-difluorophenyl)pyrrolidin-3-amine
CID 99620217
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 124619726
1-(2-fluorophenyl)-N-[(1S)-1-pyridin-2-ylpropyl]piperidin-4-amine
CID 95188661
N-[1-(2-fluorophenyl)piperidin-4-yl]pyrimidin-2-amine
CID 141014633
1-(2-fluorophenyl)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]piperidin-4-amine
CID 95194053
N-cyclohexyl-1-(2-fluorophenyl)piperidin-4-amine
CID 66872138
N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2-fluorobenzamide
CID 135119010
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide
CID 125437876
N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine
CID 80603968
N-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 119164879
(1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol
CID 133395796

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-fluorophenyl)piperidin-4-amine?
The IUPAC name of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-fluorophenyl)piperidin-4-amine (CID 125437238) is N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-fluorophenyl)piperidin-4-amine.
What is the SMILES notation for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-fluorophenyl)piperidin-4-amine?
The canonical SMILES for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-fluorophenyl)piperidin-4-amine is Cn1ccnc1[C@@H](NC1CCN(c2ccccc2F)CC1)C1CC1.
What is the InChIKey of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-fluorophenyl)piperidin-4-amine?
The InChIKey is FBIOAKVFMPGJMN-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25FN4/c1-23-13-10-21-19(23)18(14-6-7-14)22-15-8-11-24(12-9-15)17-5-3-2-4-16(17)20/h2-5,10,13-15,18,22H,6-9,11-12H2,1H3/t18-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-fluorophenyl)piperidin-4-amine?
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-fluorophenyl)piperidin-4-amine has a molecular weight of 328.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-fluorophenyl)piperidin-4-amine is sourced from PubChem (CID 125437238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).