[1-(1-propan-2-ylimidazol-2-yl)piperidin-3-yl]methanamine

C12H22N4 — CID 106552327

IUPAC[1-(1-propan-2-ylimidazol-2-yl)piperidin-3-yl]methanamine
SMILESCC(C)n1ccnc1N1CCCC(CN)C1
InChIInChI=1S/C12H22N4/c1-10(2)16-7-5-14-12(16)15-6-3-4-11(8-13)9-15/h5,7,10-11H,3-4,6,8-9,13H2,1-2H3
InChIKeyCHKNXZZQHVFWON-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.64
Rot. Bonds3

About [1-(1-propan-2-ylimidazol-2-yl)piperidin-3-yl]methanamine

[1-(1-propan-2-ylimidazol-2-yl)piperidin-3-yl]methanamine (PubChem CID 106552327) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is [1-(1-propan-2-ylimidazol-2-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(1-propan-2-ylimidazol-2-yl)piperidin-3-yl]methanamine
PubChem CID106552327
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name[1-(1-propan-2-ylimidazol-2-yl)piperidin-3-yl]methanamine
SMILESCC(C)n1ccnc1N1CCCC(CN)C1
InChIInChI=1S/C12H22N4/c1-10(2)16-7-5-14-12(16)15-6-3-4-11(8-13)9-15/h5,7,10-11H,3-4,6,8-9,13H2,1-2H3
InChIKeyCHKNXZZQHVFWON-UHFFFAOYSA-N
XLogP1.64
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-methylimidazol-2-yl)piperidin-3-yl]methanamine
CID 62132389
[1-[1-(2-methylpropyl)imidazol-2-yl]piperidin-3-yl]methanamine
CID 106552345
[1-(1-propylimidazol-2-yl)pyrrolidin-3-yl]methanamine
CID 63975836
[1-[(1-propan-2-ylimidazol-2-yl)methyl]azetidin-2-yl]methanamine
CID 165488496
3,5-dimethyl-1-(1-propan-2-ylimidazol-2-yl)piperazine
CID 106552731
4-methyl-1-(1-propan-2-ylimidazol-2-yl)pyrrolidin-3-amine
CID 106554002
(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)methanamine
CID 104729923
3-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine
CID 80680560
N-[[1-(1-ethylimidazol-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62587780
[1-(1-methylpyrazol-3-yl)piperidin-3-yl]methanamine
CID 112708877
[1-(1-methylimidazol-2-yl)piperidin-4-yl]methanamine
CID 62132388
(1-pyridin-3-ylpiperidin-3-yl)methanamine
CID 83818099

Frequently Asked Questions

What is the IUPAC name of [1-(1-propan-2-ylimidazol-2-yl)piperidin-3-yl]methanamine?
The IUPAC name of [1-(1-propan-2-ylimidazol-2-yl)piperidin-3-yl]methanamine (CID 106552327) is [1-(1-propan-2-ylimidazol-2-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for [1-(1-propan-2-ylimidazol-2-yl)piperidin-3-yl]methanamine?
The canonical SMILES for [1-(1-propan-2-ylimidazol-2-yl)piperidin-3-yl]methanamine is CC(C)n1ccnc1N1CCCC(CN)C1.
What is the InChIKey of [1-(1-propan-2-ylimidazol-2-yl)piperidin-3-yl]methanamine?
The InChIKey is CHKNXZZQHVFWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)16-7-5-14-12(16)15-6-3-4-11(8-13)9-15/h5,7,10-11H,3-4,6,8-9,13H2,1-2H3.
What are the key properties of [1-(1-propan-2-ylimidazol-2-yl)piperidin-3-yl]methanamine?
[1-(1-propan-2-ylimidazol-2-yl)piperidin-3-yl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-propan-2-ylimidazol-2-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 106552327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).