1-[(3-propylimidazol-4-yl)methyl]piperidin-3-ol

C12H21N3O — CID 66154969

IUPAC1-[(3-propylimidazol-4-yl)methyl]piperidin-3-ol
SMILESCCCn1cncc1CN1CCCC(O)C1
InChIInChI=1S/C12H21N3O/c1-2-5-15-10-13-7-11(15)8-14-6-3-4-12(16)9-14/h7,10,12,16H,2-6,8-9H2,1H3
InChIKeyBKXBBWMXOKQODS-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.25
Rot. Bonds4

About 1-[(3-propylimidazol-4-yl)methyl]piperidin-3-ol

1-[(3-propylimidazol-4-yl)methyl]piperidin-3-ol (PubChem CID 66154969) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[(3-propylimidazol-4-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(3-propylimidazol-4-yl)methyl]piperidin-3-ol
PubChem CID66154969
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[(3-propylimidazol-4-yl)methyl]piperidin-3-ol
SMILESCCCn1cncc1CN1CCCC(O)C1
InChIInChI=1S/C12H21N3O/c1-2-5-15-10-13-7-11(15)8-14-6-3-4-12(16)9-14/h7,10,12,16H,2-6,8-9H2,1H3
InChIKeyBKXBBWMXOKQODS-UHFFFAOYSA-N
XLogP1.25
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 66153816
3-methyl-1-[(3-propylimidazol-4-yl)methyl]piperazine
CID 66130031
2-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339599
1-[(3-ethylimidazol-4-yl)methyl]-4-methylpiperidin-3-ol
CID 102959689
4-[(3-propylimidazol-4-yl)methyl]morpholine-2-carboxylic acid
CID 66129464
1-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 114338610
3-methyl-1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-3-ol
CID 103358037
5-methyl-1-[(3-propylimidazol-4-yl)methyl]piperidin-3-amine
CID 79987030
1-[(3-methylimidazol-4-yl)methyl]azetidin-3-ol
CID 66141587
[6,6-dimethyl-4-[(3-propylimidazol-4-yl)methyl]morpholin-2-yl]methanol
CID 114779787
(3aR,6aS)-2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 139599274
3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol
CID 66129997

Frequently Asked Questions

What is the IUPAC name of 1-[(3-propylimidazol-4-yl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(3-propylimidazol-4-yl)methyl]piperidin-3-ol (CID 66154969) is 1-[(3-propylimidazol-4-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(3-propylimidazol-4-yl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(3-propylimidazol-4-yl)methyl]piperidin-3-ol is CCCn1cncc1CN1CCCC(O)C1.
What is the InChIKey of 1-[(3-propylimidazol-4-yl)methyl]piperidin-3-ol?
The InChIKey is BKXBBWMXOKQODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-5-15-10-13-7-11(15)8-14-6-3-4-12(16)9-14/h7,10,12,16H,2-6,8-9H2,1H3.
What are the key properties of 1-[(3-propylimidazol-4-yl)methyl]piperidin-3-ol?
1-[(3-propylimidazol-4-yl)methyl]piperidin-3-ol has a molecular weight of 223.32 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propylimidazol-4-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 66154969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).