1-[(1-propylimidazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol

C17H30N4O — CID 70725281

IUPAC1-[(1-propylimidazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
SMILESCCCn1ccnc1CN1CCCC(O)(CN2CCCC2)C1
InChIInChI=1S/C17H30N4O/c1-2-8-21-12-7-18-16(21)13-20-11-5-6-17(22,15-20)14-19-9-3-4-10-19/h7,12,22H,2-6,8-11,13-15H2,1H3
InChIKeyLJFORTUBULBLFZ-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.72
Rot. Bonds6

About 1-[(1-propylimidazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol

1-[(1-propylimidazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol (PubChem CID 70725281) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-[(1-propylimidazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-[(1-propylimidazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
PubChem CID70725281
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name1-[(1-propylimidazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
SMILESCCCn1ccnc1CN1CCCC(O)(CN2CCCC2)C1
InChIInChI=1S/C17H30N4O/c1-2-8-21-12-7-18-16(21)13-20-11-5-6-17(22,15-20)14-19-9-3-4-10-19/h7,12,22H,2-6,8-11,13-15H2,1H3
InChIKeyLJFORTUBULBLFZ-UHFFFAOYSA-N
XLogP1.72
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propylimidazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The IUPAC name of 1-[(1-propylimidazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol (CID 70725281) is 1-[(1-propylimidazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol.
What is the SMILES notation for 1-[(1-propylimidazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The canonical SMILES for 1-[(1-propylimidazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol is CCCn1ccnc1CN1CCCC(O)(CN2CCCC2)C1.
What is the InChIKey of 1-[(1-propylimidazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The InChIKey is LJFORTUBULBLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-2-8-21-12-7-18-16(21)13-20-11-5-6-17(22,15-20)14-19-9-3-4-10-19/h7,12,22H,2-6,8-11,13-15H2,1H3.
What are the key properties of 1-[(1-propylimidazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
1-[(1-propylimidazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol has a molecular weight of 306.45 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propylimidazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 70725281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).