[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine

C12H22N4 — CID 61493085

IUPAC[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine
SMILESNCC1CCCN(CCCn2ccnc2)C1
InChIInChI=1S/C12H22N4/c13-9-12-3-1-5-15(10-12)6-2-7-16-8-4-14-11-16/h4,8,11-12H,1-3,5-7,9-10,13H2
InChIKeyOENLBCRUQVCJKP-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.94
Rot. Bonds5

About [1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine

[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine (PubChem CID 61493085) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is [1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine
PubChem CID61493085
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine
SMILESNCC1CCCN(CCCn2ccnc2)C1
InChIInChI=1S/C12H22N4/c13-9-12-3-1-5-15(10-12)6-2-7-16-8-4-14-11-16/h4,8,11-12H,1-3,5-7,9-10,13H2
InChIKeyOENLBCRUQVCJKP-UHFFFAOYSA-N
XLogP0.94
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine
CID 61462956
[1-(3-fluoropropyl)piperidin-3-yl]methanamine
CID 81107283
1-[3-[3-(2-chloroethyl)pyrrolidin-1-yl]propyl]imidazole
CID 114800577
(3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol
CID 79031633
2-[4-(3-imidazol-1-ylpropyl)-1,4-diazepan-1-yl]ethanamine
CID 55149857
3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide
CID 106018056
[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493086
3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine
CID 102960102
(3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine
CID 94340676
1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine
CID 63848734
2-[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 122138623
2-[(3S)-1-(3-imidazol-1-ylpropyl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 124616424

Frequently Asked Questions

What is the IUPAC name of [1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine?
The IUPAC name of [1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine (CID 61493085) is [1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine.
What is the SMILES notation for [1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine?
The canonical SMILES for [1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine is NCC1CCCN(CCCn2ccnc2)C1.
What is the InChIKey of [1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine?
The InChIKey is OENLBCRUQVCJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c13-9-12-3-1-5-15(10-12)6-2-7-16-8-4-14-11-16/h4,8,11-12H,1-3,5-7,9-10,13H2.
What are the key properties of [1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine?
[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 61493085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).