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

C28H34N2O — CID 21260549

IUPACN-(4-phenylbutyl)-1-(4-phenylmethoxyphenyl)piperidin-4-amine
SMILESc1ccc(CCCCNC2CCN(c3ccc(OCc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C28H34N2O/c1-3-9-24(10-4-1)11-7-8-20-29-26-18-21-30(22-19-26)27-14-16-28(17-15-27)31-23-25-12-5-2-6-13-25/h1-6,9-10,12-17,26,29H,7-8,11,18-23H2
InChIKeyHLPGDAKJKMUCRF-UHFFFAOYSA-N
MW414.59 g/mol
LogP5.85
Rot. Bonds10

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

N-(4-phenylbutyl)-1-(4-phenylmethoxyphenyl)piperidin-4-amine (PubChem CID 21260549) has the molecular formula C28H34N2O and a molecular weight of 414.59 g/mol. Its IUPAC name is N-(4-phenylbutyl)-1-(4-phenylmethoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-phenylbutyl)-1-(4-phenylmethoxyphenyl)piperidin-4-amine
PubChem CID21260549
Molecular FormulaC28H34N2O
Molecular Weight414.59 g/mol
Exact Mass414.27
IUPAC NameN-(4-phenylbutyl)-1-(4-phenylmethoxyphenyl)piperidin-4-amine
SMILESc1ccc(CCCCNC2CCN(c3ccc(OCc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C28H34N2O/c1-3-9-24(10-4-1)11-7-8-20-29-26-18-21-30(22-19-26)27-14-16-28(17-15-27)31-23-25-12-5-2-6-13-25/h1-6,9-10,12-17,26,29H,7-8,11,18-23H2
InChIKeyHLPGDAKJKMUCRF-UHFFFAOYSA-N
XLogP5.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylethyl)-1-(4-phenylmethoxyphenyl)-N-[1-(4-phenylmethoxyphenyl)piperidin-4-yl]piperidin-4-amine
CID 70224263
4-[(cyclobutylamino)methyl]-1-(4-phenylmethoxyphenyl)piperidin-4-ol
CID 66783456
N-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide
CID 138534083
N-(4-phenylbutyl)oxan-4-amine
CID 115651772
1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24786198
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine
CID 103902375
N-(4-phenylbutyl)thian-4-amine
CID 115575565
N-(4-phenylbutyl)piperidin-4-amine
CID 44592823
N-[4-[4-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]piperidin-1-yl]phenyl]-5-phenylpentanamide
CID 42468339
N-[3-(cyclopropylmethoxy)propyl]-1-phenylpiperidin-4-amine
CID 103776355
1-phenyl-N-phenylmethoxypiperidin-4-amine
CID 106820391

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutyl)-1-(4-phenylmethoxyphenyl)piperidin-4-amine?
The IUPAC name of N-(4-phenylbutyl)-1-(4-phenylmethoxyphenyl)piperidin-4-amine (CID 21260549) is N-(4-phenylbutyl)-1-(4-phenylmethoxyphenyl)piperidin-4-amine.
What is the SMILES notation for N-(4-phenylbutyl)-1-(4-phenylmethoxyphenyl)piperidin-4-amine?
The canonical SMILES for N-(4-phenylbutyl)-1-(4-phenylmethoxyphenyl)piperidin-4-amine is c1ccc(CCCCNC2CCN(c3ccc(OCc4ccccc4)cc3)CC2)cc1.
What is the InChIKey of N-(4-phenylbutyl)-1-(4-phenylmethoxyphenyl)piperidin-4-amine?
The InChIKey is HLPGDAKJKMUCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O/c1-3-9-24(10-4-1)11-7-8-20-29-26-18-21-30(22-19-26)27-14-16-28(17-15-27)31-23-25-12-5-2-6-13-25/h1-6,9-10,12-17,26,29H,7-8,11,18-23H2.
What are the key properties of N-(4-phenylbutyl)-1-(4-phenylmethoxyphenyl)piperidin-4-amine?
N-(4-phenylbutyl)-1-(4-phenylmethoxyphenyl)piperidin-4-amine has a molecular weight of 414.59 g/mol, XLogP of 5.85, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutyl)-1-(4-phenylmethoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 21260549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).