2-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol

C17H29N3O — CID 114339599

IUPAC2-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCCCn1cncc1CN1CCCC1C1CCCCC1O
InChIInChI=1S/C17H29N3O/c1-2-9-20-13-18-11-14(20)12-19-10-5-7-16(19)15-6-3-4-8-17(15)21/h11,13,15-17,21H,2-10,12H2,1H3
InChIKeyDDACLKWXLOGHSI-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.81
Rot. Bonds5

About 2-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol

2-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 114339599) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID114339599
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCCCn1cncc1CN1CCCC1C1CCCCC1O
InChIInChI=1S/C17H29N3O/c1-2-9-20-13-18-11-14(20)12-19-10-5-7-16(19)15-6-3-4-8-17(15)21/h11,13,15-17,21H,2-10,12H2,1H3
InChIKeyDDACLKWXLOGHSI-UHFFFAOYSA-N
XLogP2.81
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 114338610
2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339641
1-[(3-propylimidazol-4-yl)methyl]piperidin-3-ol
CID 66154969
[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 66154354
2-(1-ethylpiperidin-2-yl)cyclohexan-1-ol
CID 114339807
2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79549276
2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339595
2-(1-octylpiperidin-2-yl)cyclohexan-1-ol
CID 114339769
2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339630
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340223
N-[[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 66153816
1-[(3-propylimidazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 66471127

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (CID 114339599) is 2-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is CCCn1cncc1CN1CCCC1C1CCCCC1O.
What is the InChIKey of 2-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is DDACLKWXLOGHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-2-9-20-13-18-11-14(20)12-19-10-5-7-16(19)15-6-3-4-8-17(15)21/h11,13,15-17,21H,2-10,12H2,1H3.
What are the key properties of 2-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).