(3R,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]piperidin-3-amine

C25H27FN2 — CID 10926859

IUPAC(3R,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]piperidin-3-amine
SMILESFc1ccc(CN[C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)NC2)cc1
InChIInChI=1S/C25H27FN2/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27-28H,15-18H2/t23-,24-/m1/s1
InChIKeyKQGGYEZSINLKFH-DNQXCXABSA-N
MW374.50 g/mol
LogP4.87
Rot. Bonds6

About (3R,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]piperidin-3-amine

(3R,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]piperidin-3-amine (PubChem CID 10926859) has the molecular formula C25H27FN2 and a molecular weight of 374.50 g/mol. Its IUPAC name is (3R,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]piperidin-3-amine
PubChem CID10926859
Molecular FormulaC25H27FN2
Molecular Weight374.50 g/mol
Exact Mass374.22
IUPAC Name(3R,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]piperidin-3-amine
SMILESFc1ccc(CN[C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)NC2)cc1
InChIInChI=1S/C25H27FN2/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27-28H,15-18H2/t23-,24-/m1/s1
InChIKeyKQGGYEZSINLKFH-DNQXCXABSA-N
XLogP4.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]piperidin-3-amine?
The IUPAC name of (3R,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]piperidin-3-amine (CID 10926859) is (3R,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]piperidin-3-amine.
What is the SMILES notation for (3R,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]piperidin-3-amine?
The canonical SMILES for (3R,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]piperidin-3-amine is Fc1ccc(CN[C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)NC2)cc1.
What is the InChIKey of (3R,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]piperidin-3-amine?
The InChIKey is KQGGYEZSINLKFH-DNQXCXABSA-N. The full InChI is InChI=1S/C25H27FN2/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27-28H,15-18H2/t23-,24-/m1/s1.
What are the key properties of (3R,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]piperidin-3-amine?
(3R,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]piperidin-3-amine has a molecular weight of 374.50 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 10926859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).