1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]piperidin-3-amine

C17H29N3O — CID 114526504

IUPAC1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]piperidin-3-amine
SMILESCc1ccc(OCCCN(C)C)c(N2CCCC(N)C2)c1
InChIInChI=1S/C17H29N3O/c1-14-7-8-17(21-11-5-9-19(2)3)16(12-14)20-10-4-6-15(18)13-20/h7-8,12,15H,4-6,9-11,13,18H2,1-3H3
InChIKeyYAQSXVPQEYTRBC-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.25
Rot. Bonds6

About 1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]piperidin-3-amine

1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]piperidin-3-amine (PubChem CID 114526504) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]piperidin-3-amine
PubChem CID114526504
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]piperidin-3-amine
SMILESCc1ccc(OCCCN(C)C)c(N2CCCC(N)C2)c1
InChIInChI=1S/C17H29N3O/c1-14-7-8-17(21-11-5-9-19(2)3)16(12-14)20-10-4-6-15(18)13-20/h7-8,12,15H,4-6,9-11,13,18H2,1-3H3
InChIKeyYAQSXVPQEYTRBC-UHFFFAOYSA-N
XLogP2.25
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]piperidin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]piperidin-3-amine?
The IUPAC name of 1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]piperidin-3-amine (CID 114526504) is 1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]piperidin-3-amine.
What is the SMILES notation for 1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]piperidin-3-amine?
The canonical SMILES for 1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]piperidin-3-amine is Cc1ccc(OCCCN(C)C)c(N2CCCC(N)C2)c1.
What is the InChIKey of 1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]piperidin-3-amine?
The InChIKey is YAQSXVPQEYTRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14-7-8-17(21-11-5-9-19(2)3)16(12-14)20-10-4-6-15(18)13-20/h7-8,12,15H,4-6,9-11,13,18H2,1-3H3.
What are the key properties of 1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]piperidin-3-amine?
1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]piperidin-3-amine has a molecular weight of 291.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]piperidin-3-amine is sourced from PubChem (CID 114526504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).