N-(3-methylbutyl)-N-(3-phenylmethoxyphenyl)-1-(1-phenylpropyl)piperidin-4-amine

C32H42N2O — CID 71495680

IUPACN-(3-methylbutyl)-N-(3-phenylmethoxyphenyl)-1-(1-phenylpropyl)piperidin-4-amine
SMILESCCC(c1ccccc1)N1CCC(N(CCC(C)C)c2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C32H42N2O/c1-4-32(28-14-9-6-10-15-28)33-21-19-29(20-22-33)34(23-18-26(2)3)30-16-11-17-31(24-30)35-25-27-12-7-5-8-13-27/h5-17,24,26,29,32H,4,18-23,25H2,1-3H3
InChIKeyPGRUNFHBZGJEMJ-UHFFFAOYSA-N
MW470.70 g/mol
LogP7.73
Rot. Bonds11

About N-(3-methylbutyl)-N-(3-phenylmethoxyphenyl)-1-(1-phenylpropyl)piperidin-4-amine

N-(3-methylbutyl)-N-(3-phenylmethoxyphenyl)-1-(1-phenylpropyl)piperidin-4-amine (PubChem CID 71495680) has the molecular formula C32H42N2O and a molecular weight of 470.70 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-(3-phenylmethoxyphenyl)-1-(1-phenylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-(3-phenylmethoxyphenyl)-1-(1-phenylpropyl)piperidin-4-amine
PubChem CID71495680
Molecular FormulaC32H42N2O
Molecular Weight470.70 g/mol
Exact Mass470.33
IUPAC NameN-(3-methylbutyl)-N-(3-phenylmethoxyphenyl)-1-(1-phenylpropyl)piperidin-4-amine
SMILESCCC(c1ccccc1)N1CCC(N(CCC(C)C)c2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C32H42N2O/c1-4-32(28-14-9-6-10-15-28)33-21-19-29(20-22-33)34(23-18-26(2)3)30-16-11-17-31(24-30)35-25-27-12-7-5-8-13-27/h5-17,24,26,29,32H,4,18-23,25H2,1-3H3
InChIKeyPGRUNFHBZGJEMJ-UHFFFAOYSA-N
XLogP7.73
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.70
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid
CID 4664073
1-(2-amino-4-methylpentyl)-N-(3-methylbutyl)-N-(4-phenylmethoxyphenyl)pyrrolidin-3-amine
CID 18380852
1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171281105
N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline
CID 21407152
1-hexan-3-yl-3-phenylmethoxybenzene
CID 91388461
1-[phenyl-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4595272
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid
CID 5013818
1-[(1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butyl]piperazine
CID 171172354
1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine
CID 171281179
N-[4-methyl-1-[3-[N-(3-methylbutyl)-4-phenylmethoxyanilino]pyrrolidin-1-yl]-1-oxopentan-2-yl]azepane-1-carboxamide
CID 90975181
3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-(3-phenylmethoxyphenyl)-1-(1-phenylpropyl)piperidin-4-amine?
The IUPAC name of N-(3-methylbutyl)-N-(3-phenylmethoxyphenyl)-1-(1-phenylpropyl)piperidin-4-amine (CID 71495680) is N-(3-methylbutyl)-N-(3-phenylmethoxyphenyl)-1-(1-phenylpropyl)piperidin-4-amine.
What is the SMILES notation for N-(3-methylbutyl)-N-(3-phenylmethoxyphenyl)-1-(1-phenylpropyl)piperidin-4-amine?
The canonical SMILES for N-(3-methylbutyl)-N-(3-phenylmethoxyphenyl)-1-(1-phenylpropyl)piperidin-4-amine is CCC(c1ccccc1)N1CCC(N(CCC(C)C)c2cccc(OCc3ccccc3)c2)CC1.
What is the InChIKey of N-(3-methylbutyl)-N-(3-phenylmethoxyphenyl)-1-(1-phenylpropyl)piperidin-4-amine?
The InChIKey is PGRUNFHBZGJEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N2O/c1-4-32(28-14-9-6-10-15-28)33-21-19-29(20-22-33)34(23-18-26(2)3)30-16-11-17-31(24-30)35-25-27-12-7-5-8-13-27/h5-17,24,26,29,32H,4,18-23,25H2,1-3H3.
What are the key properties of N-(3-methylbutyl)-N-(3-phenylmethoxyphenyl)-1-(1-phenylpropyl)piperidin-4-amine?
N-(3-methylbutyl)-N-(3-phenylmethoxyphenyl)-1-(1-phenylpropyl)piperidin-4-amine has a molecular weight of 470.70 g/mol, XLogP of 7.73, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-(3-phenylmethoxyphenyl)-1-(1-phenylpropyl)piperidin-4-amine is sourced from PubChem (CID 71495680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).