1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride

C27H34Cl2N2O — CID 17159389

IUPAC1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
SMILESCc1ccc(COc2cccc(CNC3CCN(Cc4ccccc4)CC3)c2)cc1.Cl.Cl
InChIInChI=1S/C27H32N2O.2ClH/c1-22-10-12-24(13-11-22)21-30-27-9-5-8-25(18-27)19-28-26-14-16-29(17-15-26)20-23-6-3-2-4-7-23;;/h2-13,18,26,28H,14-17,19-21H2,1H3;2*1H
InChIKeyFDOWBWYBDDNZGO-UHFFFAOYSA-N
MW473.49 g/mol
LogP6.17
Rot. Bonds8

About 1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride

1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride (PubChem CID 17159389) has the molecular formula C27H34Cl2N2O and a molecular weight of 473.49 g/mol. Its IUPAC name is 1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
PubChem CID17159389
Molecular FormulaC27H34Cl2N2O
Molecular Weight473.49 g/mol
Exact Mass472.20
IUPAC Name1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
SMILESCc1ccc(COc2cccc(CNC3CCN(Cc4ccccc4)CC3)c2)cc1.Cl.Cl
InChIInChI=1S/C27H32N2O.2ClH/c1-22-10-12-24(13-11-22)21-30-27-9-5-8-25(18-27)19-28-26-14-16-29(17-15-26)20-23-6-3-2-4-7-23;;/h2-13,18,26,28H,14-17,19-21H2,1H3;2*1H
InChIKeyFDOWBWYBDDNZGO-UHFFFAOYSA-N
XLogP6.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.49
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 6471253
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 17055072
1-benzyl-N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159369
1-benzyl-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159260
1-benzyl-N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
CID 17159370
1-benzyl-N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
CID 17159394
1-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-amine;ethane
CID 142128624
1-benzyl-N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159086
N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine
CID 119905641
N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine
CID 175567978
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17295058

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride (CID 17159389) is 1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride is Cc1ccc(COc2cccc(CNC3CCN(Cc4ccccc4)CC3)c2)cc1.Cl.Cl.
What is the InChIKey of 1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride?
The InChIKey is FDOWBWYBDDNZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O.2ClH/c1-22-10-12-24(13-11-22)21-30-27-9-5-8-25(18-27)19-28-26-14-16-29(17-15-26)20-23-6-3-2-4-7-23;;/h2-13,18,26,28H,14-17,19-21H2,1H3;2*1H.
What are the key properties of 1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride?
1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride has a molecular weight of 473.49 g/mol, XLogP of 6.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 17159389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).