1-[(2S)-2-amino-3-methylpentyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine

C29H43N3O — CID 54352355

IUPAC1-[(2S)-2-amino-3-methylpentyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine
SMILESCCC(C)[C@H](N)CN1CCC(N(CC=C(C)C)c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C29H43N3O/c1-5-24(4)29(30)21-31-18-16-27(17-19-31)32(20-15-23(2)3)26-11-13-28(14-12-26)33-22-25-9-7-6-8-10-25/h6-15,24,27,29H,5,16-22,30H2,1-4H3/t24?,29-/m1/s1
InChIKeyUGQYCWUVSVRPJS-HOINCLMKSA-N
MW449.68 g/mol
LogP5.88
Rot. Bonds11

About 1-[(2S)-2-amino-3-methylpentyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine

1-[(2S)-2-amino-3-methylpentyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine (PubChem CID 54352355) has the molecular formula C29H43N3O and a molecular weight of 449.68 g/mol. Its IUPAC name is 1-[(2S)-2-amino-3-methylpentyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[(2S)-2-amino-3-methylpentyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine
PubChem CID54352355
Molecular FormulaC29H43N3O
Molecular Weight449.68 g/mol
Exact Mass449.34
IUPAC Name1-[(2S)-2-amino-3-methylpentyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine
SMILESCCC(C)[C@H](N)CN1CCC(N(CC=C(C)C)c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C29H43N3O/c1-5-24(4)29(30)21-31-18-16-27(17-19-31)32(20-15-23(2)3)26-11-13-28(14-12-26)33-22-25-9-7-6-8-10-25/h6-15,24,27,29H,5,16-22,30H2,1-4H3/t24?,29-/m1/s1
InChIKeyUGQYCWUVSVRPJS-HOINCLMKSA-N
XLogP5.88
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.68
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2S)-2-amino-3-methylpentyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5-[4-[N-(3-methylbut-2-enyl)-4-phenylmethoxyanilino]piperidin-1-yl]-5-oxopentanamide
CID 70065608
1-[(4-chlorophenyl)methyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)pyrrolidin-3-amine
CID 21190986
N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-3-amine
CID 10784080
(3S)-1-(2-amino-4-methylpentyl)-N-(3-methylbut-2-enyl)-N-[4-(2-phenylethyl)phenyl]pyrrolidin-3-amine
CID 54131120
1-(2-amino-4-methylpentyl)-N-(3-methylbutyl)-N-(4-phenylmethoxyphenyl)pyrrolidin-3-amine
CID 18380852
N-(3-methylbut-2-enyl)-N-[(4-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 174510501
1-benzyl-N-(cyclohexylmethyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine
CID 21191023
1-(2-amino-4-methylpentyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(3-methylbutyl)piperidin-4-amine
CID 18380698
2-methyl-5-[4-[N-(2-methylpropyl)-4-phenylmethoxyanilino]piperidin-1-yl]-5-oxopentanamide
CID 18380702
1-[[4-(diethylamino)phenyl]methyl]-N-octyl-N-(4-phenylmethoxyphenyl)piperidin-4-amine
CID 71495398
1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene
CID 132530536
(2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-1-yl]pentan-2-amine
CID 22689518

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-3-methylpentyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine?
The IUPAC name of 1-[(2S)-2-amino-3-methylpentyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine (CID 54352355) is 1-[(2S)-2-amino-3-methylpentyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine.
What is the SMILES notation for 1-[(2S)-2-amino-3-methylpentyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine?
The canonical SMILES for 1-[(2S)-2-amino-3-methylpentyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine is CCC(C)[C@H](N)CN1CCC(N(CC=C(C)C)c2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[(2S)-2-amino-3-methylpentyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine?
The InChIKey is UGQYCWUVSVRPJS-HOINCLMKSA-N. The full InChI is InChI=1S/C29H43N3O/c1-5-24(4)29(30)21-31-18-16-27(17-19-31)32(20-15-23(2)3)26-11-13-28(14-12-26)33-22-25-9-7-6-8-10-25/h6-15,24,27,29H,5,16-22,30H2,1-4H3/t24?,29-/m1/s1.
What are the key properties of 1-[(2S)-2-amino-3-methylpentyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine?
1-[(2S)-2-amino-3-methylpentyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine has a molecular weight of 449.68 g/mol, XLogP of 5.88, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-3-methylpentyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 54352355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).