1-(1,4-dimethylpiperazin-2-yl)-N-[(3-propoxyphenyl)methyl]methanamine

C17H29N3O — CID 63897239

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-[(3-propoxyphenyl)methyl]methanamine
SMILESCCCOc1cccc(CNCC2CN(C)CCN2C)c1
InChIInChI=1S/C17H29N3O/c1-4-10-21-17-7-5-6-15(11-17)12-18-13-16-14-19(2)8-9-20(16)3/h5-7,11,16,18H,4,8-10,12-14H2,1-3H3
InChIKeyWLCFKKVKRQXBLB-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.81
Rot. Bonds7

About 1-(1,4-dimethylpiperazin-2-yl)-N-[(3-propoxyphenyl)methyl]methanamine

1-(1,4-dimethylpiperazin-2-yl)-N-[(3-propoxyphenyl)methyl]methanamine (PubChem CID 63897239) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-[(3-propoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-[(3-propoxyphenyl)methyl]methanamine
PubChem CID63897239
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-[(3-propoxyphenyl)methyl]methanamine
SMILESCCCOc1cccc(CNCC2CN(C)CCN2C)c1
InChIInChI=1S/C17H29N3O/c1-4-10-21-17-7-5-6-15(11-17)12-18-13-16-14-19(2)8-9-20(16)3/h5-7,11,16,18H,4,8-10,12-14H2,1-3H3
InChIKeyWLCFKKVKRQXBLB-UHFFFAOYSA-N
XLogP1.81
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,4-dimethylpiperazin-2-yl)-N-[(3-propoxyphenyl)methyl]methanamine 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

1-(1,4-dimethylpiperazin-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
CID 63898562
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine
CID 29241340
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 113227158
1-(1,4-dimethylpiperazin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 63896516
N-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 115693200
N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897594
1-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-[[3-(2-methylpropoxy)phenyl]methyl]urea
CID 96516446
2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60957544
N-[(3-propoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 60957364
2-[3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenoxy]acetonitrile
CID 106024147
2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-6-ethoxyphenol
CID 63896297
4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 59230604

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-[(3-propoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-[(3-propoxyphenyl)methyl]methanamine (CID 63897239) is 1-(1,4-dimethylpiperazin-2-yl)-N-[(3-propoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-[(3-propoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-[(3-propoxyphenyl)methyl]methanamine is CCCOc1cccc(CNCC2CN(C)CCN2C)c1.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-[(3-propoxyphenyl)methyl]methanamine?
The InChIKey is WLCFKKVKRQXBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-10-21-17-7-5-6-15(11-17)12-18-13-16-14-19(2)8-9-20(16)3/h5-7,11,16,18H,4,8-10,12-14H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-[(3-propoxyphenyl)methyl]methanamine?
1-(1,4-dimethylpiperazin-2-yl)-N-[(3-propoxyphenyl)methyl]methanamine has a molecular weight of 291.44 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N-[(3-propoxyphenyl)methyl]methanamine is sourced from PubChem (CID 63897239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).