(3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine

C19H23FN2 — CID 97082368

IUPAC(3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine
SMILESFc1cccc(CN2CCC[C@H](NCc3ccccc3)C2)c1
InChIInChI=1S/C19H23FN2/c20-18-9-4-8-17(12-18)14-22-11-5-10-19(15-22)21-13-16-6-2-1-3-7-16/h1-4,6-9,12,19,21H,5,10-11,13-15H2/t19-/m0/s1
InChIKeyUFIWXOGYHJVQIE-IBGZPJMESA-N
MW298.41 g/mol
LogP3.58
Rot. Bonds5

About (3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine

(3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine (PubChem CID 97082368) has the molecular formula C19H23FN2 and a molecular weight of 298.41 g/mol. Its IUPAC name is (3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine
PubChem CID97082368
Molecular FormulaC19H23FN2
Molecular Weight298.41 g/mol
Exact Mass298.18
IUPAC Name(3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine
SMILESFc1cccc(CN2CCC[C@H](NCc3ccccc3)C2)c1
InChIInChI=1S/C19H23FN2/c20-18-9-4-8-17(12-18)14-22-11-5-10-19(15-22)21-13-16-6-2-1-3-7-16/h1-4,6-9,12,19,21H,5,10-11,13-15H2/t19-/m0/s1
InChIKeyUFIWXOGYHJVQIE-IBGZPJMESA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 24904616
N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine
CID 83993970
N-benzyl-1-(2-chloroethyl)piperidin-3-amine
CID 131162483
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
3-[[3-[(3-methylsulfanylphenyl)methylamino]piperidin-1-yl]methyl]phenol
CID 131929815
N-benzyl-1-butylpiperidin-3-amine
CID 83993554
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine
CID 43327642
(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 29080908
(3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine
CID 97168581
1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol
CID 115729123
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
2-[2-[3-[(3,5-difluorophenyl)methylamino]piperidin-1-yl]ethyl]isoindole-1,3-dione
CID 134137114

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine?
The IUPAC name of (3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine (CID 97082368) is (3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine.
What is the SMILES notation for (3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine?
The canonical SMILES for (3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine is Fc1cccc(CN2CCC[C@H](NCc3ccccc3)C2)c1.
What is the InChIKey of (3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine?
The InChIKey is UFIWXOGYHJVQIE-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23FN2/c20-18-9-4-8-17(12-18)14-22-11-5-10-19(15-22)21-13-16-6-2-1-3-7-16/h1-4,6-9,12,19,21H,5,10-11,13-15H2/t19-/m0/s1.
What are the key properties of (3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine?
(3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine has a molecular weight of 298.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 97082368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).