N-[3-(2-methoxyphenyl)propyl]-1-propan-2-ylpiperidin-4-amine

C18H30N2O — CID 50981884

IUPACN-[3-(2-methoxyphenyl)propyl]-1-propan-2-ylpiperidin-4-amine
SMILESCOc1ccccc1CCCNC1CCN(C(C)C)CC1
InChIInChI=1S/C18H30N2O/c1-15(2)20-13-10-17(11-14-20)19-12-6-8-16-7-4-5-9-18(16)21-3/h4-5,7,9,15,17,19H,6,8,10-14H2,1-3H3
InChIKeyYVUIRVUAVURBQL-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.09
Rot. Bonds7

About N-[3-(2-methoxyphenyl)propyl]-1-propan-2-ylpiperidin-4-amine

N-[3-(2-methoxyphenyl)propyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 50981884) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)propyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)propyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID50981884
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[3-(2-methoxyphenyl)propyl]-1-propan-2-ylpiperidin-4-amine
SMILESCOc1ccccc1CCCNC1CCN(C(C)C)CC1
InChIInChI=1S/C18H30N2O/c1-15(2)20-13-10-17(11-14-20)19-12-6-8-16-7-4-5-9-18(16)21-3/h4-5,7,9,15,17,19H,6,8,10-14H2,1-3H3
InChIKeyYVUIRVUAVURBQL-UHFFFAOYSA-N
XLogP3.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(2-methoxyphenyl)propyl]-1-propan-2-ylpiperidin-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

N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
CID 103748166
N-[2-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 113218952
1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone
CID 23768743
1-benzyl-N-[2-(2-methoxyphenyl)ethyl]piperidin-4-amine
CID 27267411
N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 5131485
N-(3-methoxypropyl)-1-propan-2-ylpiperidin-4-amine
CID 28673243
N'-[(2-methoxyphenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886626
N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 113103333
2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 110751950
4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 783786
2-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetonitrile
CID 43223576
N-[2-(2-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103847588

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)propyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[3-(2-methoxyphenyl)propyl]-1-propan-2-ylpiperidin-4-amine (CID 50981884) is N-[3-(2-methoxyphenyl)propyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[3-(2-methoxyphenyl)propyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[3-(2-methoxyphenyl)propyl]-1-propan-2-ylpiperidin-4-amine is COc1ccccc1CCCNC1CCN(C(C)C)CC1.
What is the InChIKey of N-[3-(2-methoxyphenyl)propyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is YVUIRVUAVURBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)20-13-10-17(11-14-20)19-12-6-8-16-7-4-5-9-18(16)21-3/h4-5,7,9,15,17,19H,6,8,10-14H2,1-3H3.
What are the key properties of N-[3-(2-methoxyphenyl)propyl]-1-propan-2-ylpiperidin-4-amine?
N-[3-(2-methoxyphenyl)propyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 290.45 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)propyl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 50981884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).