N-phenyl-1-(1-phenylbutyl)piperidin-4-amine

C21H28N2 — CID 70111366

IUPACN-phenyl-1-(1-phenylbutyl)piperidin-4-amine
SMILESCCCC(c1ccccc1)N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C21H28N2/c1-2-9-21(18-10-5-3-6-11-18)23-16-14-20(15-17-23)22-19-12-7-4-8-13-19/h3-8,10-13,20-22H,2,9,14-17H2,1H3
InChIKeyPFJMAWBDRVHWIQ-UHFFFAOYSA-N
MW308.47 g/mol
LogP5.10
Rot. Bonds6

About N-phenyl-1-(1-phenylbutyl)piperidin-4-amine

N-phenyl-1-(1-phenylbutyl)piperidin-4-amine (PubChem CID 70111366) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-phenyl-1-(1-phenylbutyl)piperidin-4-amine.

Molecular Properties

Compound NameN-phenyl-1-(1-phenylbutyl)piperidin-4-amine
PubChem CID70111366
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC NameN-phenyl-1-(1-phenylbutyl)piperidin-4-amine
SMILESCCCC(c1ccccc1)N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C21H28N2/c1-2-9-21(18-10-5-3-6-11-18)23-16-14-20(15-17-23)22-19-12-7-4-8-13-19/h3-8,10-13,20-22H,2,9,14-17H2,1H3
InChIKeyPFJMAWBDRVHWIQ-UHFFFAOYSA-N
XLogP5.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-phenylbutyl)piperidine-4-carboxylic acid
CID 65056613
3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine
CID 62780033
3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103494242
N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine
CID 43182970
N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine
CID 61206343
3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine
CID 113417035
2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
CID 113419035
1-[(1R)-1-(4-chlorophenyl)butyl]-4-methylpiperidine
CID 92967695
N-[2-(4-ethoxypiperidin-1-yl)-2-phenylethyl]propan-1-amine
CID 62427479
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propane-1-sulfonamide
CID 75765827
1-(3-anilinopyrrolidin-1-yl)butan-2-ol
CID 111544263
(3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 98177963

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(1-phenylbutyl)piperidin-4-amine?
The IUPAC name of N-phenyl-1-(1-phenylbutyl)piperidin-4-amine (CID 70111366) is N-phenyl-1-(1-phenylbutyl)piperidin-4-amine.
What is the SMILES notation for N-phenyl-1-(1-phenylbutyl)piperidin-4-amine?
The canonical SMILES for N-phenyl-1-(1-phenylbutyl)piperidin-4-amine is CCCC(c1ccccc1)N1CCC(Nc2ccccc2)CC1.
What is the InChIKey of N-phenyl-1-(1-phenylbutyl)piperidin-4-amine?
The InChIKey is PFJMAWBDRVHWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-2-9-21(18-10-5-3-6-11-18)23-16-14-20(15-17-23)22-19-12-7-4-8-13-19/h3-8,10-13,20-22H,2,9,14-17H2,1H3.
What are the key properties of N-phenyl-1-(1-phenylbutyl)piperidin-4-amine?
N-phenyl-1-(1-phenylbutyl)piperidin-4-amine has a molecular weight of 308.47 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(1-phenylbutyl)piperidin-4-amine is sourced from PubChem (CID 70111366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).