1-benzyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]piperidin-4-amine;dihydrochloride

C30H34Cl2N2O — CID 17159055

IUPAC1-benzyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]piperidin-4-amine;dihydrochloride
SMILESCl.Cl.c1ccc(COc2ccc3ccccc3c2CNC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C30H32N2O.2ClH/c1-3-9-24(10-4-1)22-32-19-17-27(18-20-32)31-21-29-28-14-8-7-13-26(28)15-16-30(29)33-23-25-11-5-2-6-12-25;;/h1-16,27,31H,17-23H2;2*1H
InChIKeyOKHDMBUANSGIPD-UHFFFAOYSA-N
MW509.52 g/mol
LogP7.02
Rot. Bonds8

About 1-benzyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]piperidin-4-amine;dihydrochloride

1-benzyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]piperidin-4-amine;dihydrochloride (PubChem CID 17159055) has the molecular formula C30H34Cl2N2O and a molecular weight of 509.52 g/mol. Its IUPAC name is 1-benzyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]piperidin-4-amine;dihydrochloride
PubChem CID17159055
Molecular FormulaC30H34Cl2N2O
Molecular Weight509.52 g/mol
Exact Mass508.20
IUPAC Name1-benzyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]piperidin-4-amine;dihydrochloride
SMILESCl.Cl.c1ccc(COc2ccc3ccccc3c2CNC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C30H32N2O.2ClH/c1-3-9-24(10-4-1)22-32-19-17-27(18-20-32)31-21-29-28-14-8-7-13-26(28)15-16-30(29)33-23-25-11-5-2-6-12-25;;/h1-16,27,31H,17-23H2;2*1H
InChIKeyOKHDMBUANSGIPD-UHFFFAOYSA-N
XLogP7.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.52
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]piperidin-4-amine;dihydrochloride
CID 17159061
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine
CID 4721414
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride
CID 17296016
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]cyclopentanamine;hydrochloride
CID 17054828
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
1-benzyl-N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
CID 17159394
1-benzyl-N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 17159161
1-benzyl-N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159369
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]cyclopropanamine
CID 4721070
2-morpholin-4-yl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;dihydrochloride
CID 17294777
1-benzyl-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159260

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-benzyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]piperidin-4-amine;dihydrochloride (CID 17159055) is 1-benzyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-benzyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-benzyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]piperidin-4-amine;dihydrochloride is Cl.Cl.c1ccc(COc2ccc3ccccc3c2CNC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]piperidin-4-amine;dihydrochloride?
The InChIKey is OKHDMBUANSGIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O.2ClH/c1-3-9-24(10-4-1)22-32-19-17-27(18-20-32)31-21-29-28-14-8-7-13-26(28)15-16-30(29)33-23-25-11-5-2-6-12-25;;/h1-16,27,31H,17-23H2;2*1H.
What are the key properties of 1-benzyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]piperidin-4-amine;dihydrochloride?
1-benzyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]piperidin-4-amine;dihydrochloride has a molecular weight of 509.52 g/mol, XLogP of 7.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 17159055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).