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

C12H22N4 — CID 61493086

IUPAC[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1CCCn1ccnc1
InChIInChI=1S/C12H22N4/c13-10-12-4-1-2-7-16(12)8-3-6-15-9-5-14-11-15/h5,9,11-12H,1-4,6-8,10,13H2
InChIKeyAYDTXLIOMMHWTM-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.09
Rot. Bonds5

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

[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine (PubChem CID 61493086) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is [1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine
PubChem CID61493086
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1CCCn1ccnc1
InChIInChI=1S/C12H22N4/c13-10-12-4-1-2-7-16(12)8-3-6-15-9-5-14-11-15/h5,9,11-12H,1-4,6-8,10,13H2
InChIKeyAYDTXLIOMMHWTM-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-imidazol-1-ylpropyl)azepan-2-yl]propan-2-one
CID 79559937
2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid
CID 54960885
N-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62579810
1-[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]-N-methylethanamine
CID 63853813
[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493948
N-(3-imidazol-1-ylpropyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 61494653
[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine
CID 61493085
1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid
CID 61493051
(1-butylazepan-2-yl)methanamine
CID 116640391
(1-dodecylpiperidin-2-yl)methanamine
CID 63405140
4-[2-(aminomethyl)azepan-1-yl]butan-1-ol
CID 116640497
2-[4-(3-imidazol-1-ylpropyl)-1,4-diazepan-1-yl]ethanamine
CID 55149857

Frequently Asked Questions

What is the IUPAC name of [1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine?
The IUPAC name of [1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine (CID 61493086) is [1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine?
The canonical SMILES for [1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine is NCC1CCCCN1CCCn1ccnc1.
What is the InChIKey of [1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine?
The InChIKey is AYDTXLIOMMHWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c13-10-12-4-1-2-7-16(12)8-3-6-15-9-5-14-11-15/h5,9,11-12H,1-4,6-8,10,13H2.
What are the key properties of [1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine?
[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 1.09, 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-2-yl]methanamine is sourced from PubChem (CID 61493086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).