1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine

C14H26N4 — CID 63853072

IUPAC1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine
SMILESCNC(C)C1CCN(CCCn2ccnc2)CC1
InChIInChI=1S/C14H26N4/c1-13(15-2)14-4-9-17(10-5-14)7-3-8-18-11-6-16-12-18/h6,11-15H,3-5,7-10H2,1-2H3
InChIKeyQHQZYXWWFJHLAF-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.59
Rot. Bonds6

About 1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine

1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine (PubChem CID 63853072) 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-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine
PubChem CID63853072
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine
SMILESCNC(C)C1CCN(CCCn2ccnc2)CC1
InChIInChI=1S/C14H26N4/c1-13(15-2)14-4-9-17(10-5-14)7-3-8-18-11-6-16-12-18/h6,11-15H,3-5,7-10H2,1-2H3
InChIKeyQHQZYXWWFJHLAF-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]-N-methylethanamine
CID 63853813
1-(3-imidazol-1-ylpropyl)-4-propylpiperazine
CID 174856512
N-(1-cyclopropylethyl)-3-imidazol-1-ylpropan-1-amine
CID 43126800
N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine
CID 28993992
N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine
CID 115704905
N-methyl-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]ethanamine
CID 63853080
(3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol
CID 79031633
3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine
CID 102960102
1-[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]ethanol
CID 112628258
4-(2-imidazol-1-ylethyl)-1-octadecylpiperidine;dihydrochloride
CID 23052324
1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine
CID 115704915
N-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 63849479

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine (CID 63853072) is 1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine is CNC(C)C1CCN(CCCn2ccnc2)CC1.
What is the InChIKey of 1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine?
The InChIKey is QHQZYXWWFJHLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-13(15-2)14-4-9-17(10-5-14)7-3-8-18-11-6-16-12-18/h6,11-15H,3-5,7-10H2,1-2H3.
What are the key properties of 1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine?
1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine has a molecular weight of 250.39 g/mol, XLogP of 1.59, 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-4-yl]-N-methylethanamine is sourced from PubChem (CID 63853072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).