1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine

C15H24N2 — CID 63786246

IUPAC1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(N2CCCC(C)C2)cc1
InChIInChI=1S/C15H24N2/c1-12-4-3-9-17(11-12)15-7-5-14(6-8-15)10-13(2)16/h5-8,12-13H,3-4,9-11,16H2,1-2H3
InChIKeyWKDJZFVVNMPYEP-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.81
Rot. Bonds3

About 1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine

1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine (PubChem CID 63786246) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
PubChem CID63786246
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(N2CCCC(C)C2)cc1
InChIInChI=1S/C15H24N2/c1-12-4-3-9-17(11-12)15-7-5-14(6-8-15)10-13(2)16/h5-8,12-13H,3-4,9-11,16H2,1-2H3
InChIKeyWKDJZFVVNMPYEP-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-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

[4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 75485261
1-[4-(4-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63786073
1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 81165910
1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63785750
1-[4-(4-ethylpiperidin-1-yl)phenyl]propan-2-amine
CID 63817435
1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 63794882
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine
CID 63794137
4-(3-methylazepan-1-yl)aniline
CID 23103826
N,N-dimethyl-3-[4-(3-methylpiperidin-1-yl)phenyl]propan-1-amine;hydrochloride
CID 170866745
1-[4-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-2-amine
CID 63980117
2-(4-methylphenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125044027
2-(4-ethylphenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125054369

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine (CID 63786246) is 1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine is CC(N)Cc1ccc(N2CCCC(C)C2)cc1.
What is the InChIKey of 1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine?
The InChIKey is WKDJZFVVNMPYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-4-3-9-17(11-12)15-7-5-14(6-8-15)10-13(2)16/h5-8,12-13H,3-4,9-11,16H2,1-2H3.
What are the key properties of 1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine?
1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine has a molecular weight of 232.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 63786246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).