(3R,6R)-6-benzhydryl-N-benzylpiperidin-3-amine;hydrate;dihydrochloride

C25H32Cl2N2O — CID 73357219

IUPAC(3R,6R)-6-benzhydryl-N-benzylpiperidin-3-amine;hydrate;dihydrochloride
SMILESCl.Cl.O.c1ccc(CN[C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)NC2)cc1
InChIInChI=1S/C25H28N2.2ClH.H2O/c1-4-10-20(11-5-1)18-26-23-16-17-24(27-19-23)25(21-12-6-2-7-13-21)22-14-8-3-9-15-22;;;/h1-15,23-27H,16-19H2;2*1H;1H2/t23-,24-;;;/m1.../s1
InChIKeyUNTLTFBCAWUKJM-VHKRTVIZSA-N
MW447.45 g/mol
LogP4.75
Rot. Bonds6

About (3R,6R)-6-benzhydryl-N-benzylpiperidin-3-amine;hydrate;dihydrochloride

(3R,6R)-6-benzhydryl-N-benzylpiperidin-3-amine;hydrate;dihydrochloride (PubChem CID 73357219) has the molecular formula C25H32Cl2N2O and a molecular weight of 447.45 g/mol. Its IUPAC name is (3R,6R)-6-benzhydryl-N-benzylpiperidin-3-amine;hydrate;dihydrochloride.

Molecular Properties

Compound Name(3R,6R)-6-benzhydryl-N-benzylpiperidin-3-amine;hydrate;dihydrochloride
PubChem CID73357219
Molecular FormulaC25H32Cl2N2O
Molecular Weight447.45 g/mol
Exact Mass446.19
IUPAC Name(3R,6R)-6-benzhydryl-N-benzylpiperidin-3-amine;hydrate;dihydrochloride
SMILESCl.Cl.O.c1ccc(CN[C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)NC2)cc1
InChIInChI=1S/C25H28N2.2ClH.H2O/c1-4-10-20(11-5-1)18-26-23-16-17-24(27-19-23)25(21-12-6-2-7-13-21)22-14-8-3-9-15-22;;;/h1-15,23-27H,16-19H2;2*1H;1H2/t23-,24-;;;/m1.../s1
InChIKeyUNTLTFBCAWUKJM-VHKRTVIZSA-N
XLogP4.75
TPSA55.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 54.75
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-benzylpiperidin-3-amine;hydrate;dihydrochloride?
The IUPAC name of (3R,6R)-6-benzhydryl-N-benzylpiperidin-3-amine;hydrate;dihydrochloride (CID 73357219) is (3R,6R)-6-benzhydryl-N-benzylpiperidin-3-amine;hydrate;dihydrochloride.
What is the SMILES notation for (3R,6R)-6-benzhydryl-N-benzylpiperidin-3-amine;hydrate;dihydrochloride?
The canonical SMILES for (3R,6R)-6-benzhydryl-N-benzylpiperidin-3-amine;hydrate;dihydrochloride is Cl.Cl.O.c1ccc(CN[C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)NC2)cc1.
What is the InChIKey of (3R,6R)-6-benzhydryl-N-benzylpiperidin-3-amine;hydrate;dihydrochloride?
The InChIKey is UNTLTFBCAWUKJM-VHKRTVIZSA-N. The full InChI is InChI=1S/C25H28N2.2ClH.H2O/c1-4-10-20(11-5-1)18-26-23-16-17-24(27-19-23)25(21-12-6-2-7-13-21)22-14-8-3-9-15-22;;;/h1-15,23-27H,16-19H2;2*1H;1H2/t23-,24-;;;/m1.../s1.
What are the key properties of (3R,6R)-6-benzhydryl-N-benzylpiperidin-3-amine;hydrate;dihydrochloride?
(3R,6R)-6-benzhydryl-N-benzylpiperidin-3-amine;hydrate;dihydrochloride has a molecular weight of 447.45 g/mol, XLogP of 4.75, 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-benzylpiperidin-3-amine;hydrate;dihydrochloride is sourced from PubChem (CID 73357219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).