1-[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]-N-methylethanamine

C14H26N4 — CID 63853813

IUPAC1-[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]-N-methylethanamine
SMILESCNC(C)C1CCCCN1CCCn1ccnc1
InChIInChI=1S/C14H26N4/c1-13(15-2)14-6-3-4-9-18(14)10-5-8-17-11-7-16-12-17/h7,11-15H,3-6,8-10H2,1-2H3
InChIKeyOGBVWCQWLOIDIP-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.74
Rot. Bonds6

About 1-[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]-N-methylethanamine

1-[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]-N-methylethanamine (PubChem CID 63853813) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]-N-methylethanamine
PubChem CID63853813
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]-N-methylethanamine
SMILESCNC(C)C1CCCCN1CCCn1ccnc1
InChIInChI=1S/C14H26N4/c1-13(15-2)14-6-3-4-9-18(14)10-5-8-17-11-7-16-12-17/h7,11-15H,3-6,8-10H2,1-2H3
InChIKeyOGBVWCQWLOIDIP-UHFFFAOYSA-N
XLogP1.74
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine
CID 63853072
[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493086
N-methyl-1-(1-pentylpiperidin-2-yl)ethanamine
CID 63854669
N-(3-imidazol-1-ylpropyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 61494653
N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-2-yl]ethanamine
CID 63854336
1-[1-(4-methoxybutyl)piperidin-2-yl]-N-methylethanamine
CID 104646713
1-(3-imidazol-1-ylpropyl)-2-propan-2-ylpiperazine
CID 64832153
1-[1-(3-imidazol-1-ylpropyl)azepan-2-yl]propan-2-one
CID 79559937
N-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62579810
N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine
CID 115704905
N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine
CID 28993992
N-(1-cyclopropylethyl)-3-imidazol-1-ylpropan-1-amine
CID 43126800

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]-N-methylethanamine (CID 63853813) is 1-[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]-N-methylethanamine is CNC(C)C1CCCCN1CCCn1ccnc1.
What is the InChIKey of 1-[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]-N-methylethanamine?
The InChIKey is OGBVWCQWLOIDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-13(15-2)14-6-3-4-9-18(14)10-5-8-17-11-7-16-12-17/h7,11-15H,3-6,8-10H2,1-2H3.
What are the key properties of 1-[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]-N-methylethanamine?
1-[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]-N-methylethanamine has a molecular weight of 250.39 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]-N-methylethanamine is sourced from PubChem (CID 63853813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).