3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline

C17H29N3 — CID 115342113

IUPAC3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline
SMILESCN1CCC(CN(C)CCCc2cccc(N)c2)CC1
InChIInChI=1S/C17H29N3/c1-19-11-8-16(9-12-19)14-20(2)10-4-6-15-5-3-7-17(18)13-15/h3,5,7,13,16H,4,6,8-12,14,18H2,1-2H3
InChIKeyQPOWZZRVSFKYEJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.47
Rot. Bonds6

About 3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline

3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline (PubChem CID 115342113) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline.

Molecular Properties

Compound Name3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline
PubChem CID115342113
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline
SMILESCN1CCC(CN(C)CCCc2cccc(N)c2)CC1
InChIInChI=1S/C17H29N3/c1-19-11-8-16(9-12-19)14-20(2)10-4-6-15-5-3-7-17(18)13-15/h3,5,7,13,16H,4,6,8-12,14,18H2,1-2H3
InChIKeyQPOWZZRVSFKYEJ-UHFFFAOYSA-N
XLogP2.47
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propyl]aniline
CID 115342117
3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline
CID 65347613
3-[2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethyl]aniline
CID 65347709
3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63234884
N-(cyclopropylmethyl)-N-methyl-3-phenylpropan-1-amine
CID 54365066
3-[3-(4-ethylpiperidin-1-yl)propyl]aniline
CID 113290630
3-[3-(4-methylpiperidin-1-yl)propyl]aniline
CID 28721152
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 55174994
3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]aniline
CID 115341733
3-[3-[methyl-(4-methylcyclohexyl)amino]propyl]aniline
CID 115341883
3-[2-[cyclopropylmethyl(ethyl)amino]ethyl]aniline
CID 65348006
3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline
CID 115341872

Frequently Asked Questions

What is the IUPAC name of 3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline?
The IUPAC name of 3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline (CID 115342113) is 3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline.
What is the SMILES notation for 3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline?
The canonical SMILES for 3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline is CN1CCC(CN(C)CCCc2cccc(N)c2)CC1.
What is the InChIKey of 3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline?
The InChIKey is QPOWZZRVSFKYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-19-11-8-16(9-12-19)14-20(2)10-4-6-15-5-3-7-17(18)13-15/h3,5,7,13,16H,4,6,8-12,14,18H2,1-2H3.
What are the key properties of 3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline?
3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline has a molecular weight of 275.44 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline is sourced from PubChem (CID 115342113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).