3-(4-methylpiperidin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine

C16H30N4 — CID 66134575

IUPAC3-(4-methylpiperidin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCn1cncc1CNCCCN1CCC(C)CC1
InChIInChI=1S/C16H30N4/c1-3-8-20-14-18-13-16(20)12-17-7-4-9-19-10-5-15(2)6-11-19/h13-15,17H,3-12H2,1-2H3
InChIKeyXLFTUEZXBCIIBA-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.50
Rot. Bonds8

About 3-(4-methylpiperidin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine

3-(4-methylpiperidin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine (PubChem CID 66134575) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
PubChem CID66134575
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name3-(4-methylpiperidin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCn1cncc1CNCCCN1CCC(C)CC1
InChIInChI=1S/C16H30N4/c1-3-8-20-14-18-13-16(20)12-17-7-4-9-19-10-5-15(2)6-11-19/h13-15,17H,3-12H2,1-2H3
InChIKeyXLFTUEZXBCIIBA-UHFFFAOYSA-N
XLogP2.50
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-propyl-N-[(3-propylimidazol-4-yl)methyl]piperidin-4-amine
CID 66134778
3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43663301
3-(4-methylpiperidin-1-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 62762329
2-[(3-propylimidazol-4-yl)methylamino]ethanesulfonamide
CID 66135415
1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine
CID 66133818
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 115885360
N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine
CID 66131979
N-[(3-propylimidazol-4-yl)methyl]but-3-yn-1-amine
CID 66130391
3-phenoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 66130980
N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine
CID 66131380
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 66133237
3-[(3-propylimidazol-4-yl)methylamino]propanoic acid
CID 66133554

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine (CID 66134575) is 3-(4-methylpiperidin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine is CCCn1cncc1CNCCCN1CCC(C)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine?
The InChIKey is XLFTUEZXBCIIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-3-8-20-14-18-13-16(20)12-17-7-4-9-19-10-5-15(2)6-11-19/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine?
3-(4-methylpiperidin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 66134575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).