1-[2-(dibenzylamino)propyl]-N-(4-methoxyphenyl)piperidin-4-amine

C29H37N3O — CID 68772769

IUPAC1-[2-(dibenzylamino)propyl]-N-(4-methoxyphenyl)piperidin-4-amine
SMILESCOc1ccc(NC2CCN(CC(C)N(Cc3ccccc3)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C29H37N3O/c1-24(32(22-25-9-5-3-6-10-25)23-26-11-7-4-8-12-26)21-31-19-17-28(18-20-31)30-27-13-15-29(33-2)16-14-27/h3-16,24,28,30H,17-23H2,1-2H3
InChIKeyWDUYTFLJUJAERZ-UHFFFAOYSA-N
MW443.64 g/mol
LogP5.66
Rot. Bonds10

About 1-[2-(dibenzylamino)propyl]-N-(4-methoxyphenyl)piperidin-4-amine

1-[2-(dibenzylamino)propyl]-N-(4-methoxyphenyl)piperidin-4-amine (PubChem CID 68772769) has the molecular formula C29H37N3O and a molecular weight of 443.64 g/mol. Its IUPAC name is 1-[2-(dibenzylamino)propyl]-N-(4-methoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(dibenzylamino)propyl]-N-(4-methoxyphenyl)piperidin-4-amine
PubChem CID68772769
Molecular FormulaC29H37N3O
Molecular Weight443.64 g/mol
Exact Mass443.29
IUPAC Name1-[2-(dibenzylamino)propyl]-N-(4-methoxyphenyl)piperidin-4-amine
SMILESCOc1ccc(NC2CCN(CC(C)N(Cc3ccccc3)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C29H37N3O/c1-24(32(22-25-9-5-3-6-10-25)23-26-11-7-4-8-12-26)21-31-19-17-28(18-20-31)30-27-13-15-29(33-2)16-14-27/h3-16,24,28,30H,17-23H2,1-2H3
InChIKeyWDUYTFLJUJAERZ-UHFFFAOYSA-N
XLogP5.66
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.64
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-[1-[(2S)-2-(dibenzylamino)propyl]piperidin-4-yl]benzene-1,2-diamine
CID 68771029
N-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103739089
1-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 56570250
1-[1-[2-(dibenzylamino)propyl]piperidin-4-yl]-1,3-diphenylthiourea
CID 87568572
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 56570050
4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 134107688
1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 90316616
4-(4-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83201733
N-[3-(methoxymethyl)phenyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103931159
1-[2-(dibenzylamino)-3-phenylpropyl]-N-(2-methylsulfanylphenyl)piperidin-4-amine
CID 68721375
N-(2-ethylphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103930824
1-ethyl-N-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine
CID 3824332

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dibenzylamino)propyl]-N-(4-methoxyphenyl)piperidin-4-amine?
The IUPAC name of 1-[2-(dibenzylamino)propyl]-N-(4-methoxyphenyl)piperidin-4-amine (CID 68772769) is 1-[2-(dibenzylamino)propyl]-N-(4-methoxyphenyl)piperidin-4-amine.
What is the SMILES notation for 1-[2-(dibenzylamino)propyl]-N-(4-methoxyphenyl)piperidin-4-amine?
The canonical SMILES for 1-[2-(dibenzylamino)propyl]-N-(4-methoxyphenyl)piperidin-4-amine is COc1ccc(NC2CCN(CC(C)N(Cc3ccccc3)Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[2-(dibenzylamino)propyl]-N-(4-methoxyphenyl)piperidin-4-amine?
The InChIKey is WDUYTFLJUJAERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O/c1-24(32(22-25-9-5-3-6-10-25)23-26-11-7-4-8-12-26)21-31-19-17-28(18-20-31)30-27-13-15-29(33-2)16-14-27/h3-16,24,28,30H,17-23H2,1-2H3.
What are the key properties of 1-[2-(dibenzylamino)propyl]-N-(4-methoxyphenyl)piperidin-4-amine?
1-[2-(dibenzylamino)propyl]-N-(4-methoxyphenyl)piperidin-4-amine has a molecular weight of 443.64 g/mol, XLogP of 5.66, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dibenzylamino)propyl]-N-(4-methoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 68772769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).