1-benzyl-3-phenyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine;dihydrochloride

C25H37Cl2N3 — CID 175654335

IUPAC1-benzyl-3-phenyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.c1ccc(CN2CCC(NCCN3CCCCC3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C25H35N3.2ClH/c1-4-10-22(11-5-1)20-28-18-14-25(24(21-28)23-12-6-2-7-13-23)26-15-19-27-16-8-3-9-17-27;;/h1-2,4-7,10-13,24-26H,3,8-9,14-21H2;2*1H
InChIKeyYCIHFBYJYSZLCU-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.96
Rot. Bonds7

About 1-benzyl-3-phenyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine;dihydrochloride

1-benzyl-3-phenyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine;dihydrochloride (PubChem CID 175654335) has the molecular formula C25H37Cl2N3 and a molecular weight of 450.50 g/mol. Its IUPAC name is 1-benzyl-3-phenyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-3-phenyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine;dihydrochloride
PubChem CID175654335
Molecular FormulaC25H37Cl2N3
Molecular Weight450.50 g/mol
Exact Mass449.24
IUPAC Name1-benzyl-3-phenyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.c1ccc(CN2CCC(NCCN3CCCCC3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C25H35N3.2ClH/c1-4-10-22(11-5-1)20-28-18-14-25(24(21-28)23-12-6-2-7-13-23)26-15-19-27-16-8-3-9-17-27;;/h1-2,4-7,10-13,24-26H,3,8-9,14-21H2;2*1H
InChIKeyYCIHFBYJYSZLCU-UHFFFAOYSA-N
XLogP4.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-N,1-dibenzyl-3-phenylpiperidin-4-amine
CID 7450726
(3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine
CID 11905043
(3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine
CID 7441557
(3S,4S)-1-benzyl-N-(furan-2-ylmethyl)-3-phenylpiperidin-4-amine
CID 124813938
(3R,4S)-1-benzyl-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine
CID 124764153
(3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 73350587
N,1-dibenzyl-3-(4-ethoxyphenyl)piperidin-4-amine
CID 6488319
(3S,4S)-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-phenylpiperidin-4-amine
CID 124909525
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
N-(2-morpholin-4-ylethyl)-2-phenylcyclohexan-1-amine
CID 43764210
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
(3R)-1-[2-[[(1S)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride
CID 162322096

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-phenyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-benzyl-3-phenyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine;dihydrochloride (CID 175654335) is 1-benzyl-3-phenyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-benzyl-3-phenyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-benzyl-3-phenyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine;dihydrochloride is Cl.Cl.c1ccc(CN2CCC(NCCN3CCCCC3)C(c3ccccc3)C2)cc1.
What is the InChIKey of 1-benzyl-3-phenyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine;dihydrochloride?
The InChIKey is YCIHFBYJYSZLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3.2ClH/c1-4-10-22(11-5-1)20-28-18-14-25(24(21-28)23-12-6-2-7-13-23)26-15-19-27-16-8-3-9-17-27;;/h1-2,4-7,10-13,24-26H,3,8-9,14-21H2;2*1H.
What are the key properties of 1-benzyl-3-phenyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine;dihydrochloride?
1-benzyl-3-phenyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine;dihydrochloride has a molecular weight of 450.50 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-phenyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 175654335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).