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

C17H30N4O — CID 70776255

IUPAC3-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-ol
SMILESCCCn1ccnc1CN1CCC(O)(CN2CCCCC2)C1
InChIInChI=1S/C17H30N4O/c1-2-8-21-12-7-18-16(21)13-20-11-6-17(22,15-20)14-19-9-4-3-5-10-19/h7,12,22H,2-6,8-11,13-15H2,1H3
InChIKeySSFMITTWLIBXAW-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.72
Rot. Bonds6

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

3-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-ol (PubChem CID 70776255) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-ol
PubChem CID70776255
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name3-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-ol
SMILESCCCn1ccnc1CN1CCC(O)(CN2CCCCC2)C1
InChIInChI=1S/C17H30N4O/c1-2-8-21-12-7-18-16(21)13-20-11-6-17(22,15-20)14-19-9-4-3-5-10-19/h7,12,22H,2-6,8-11,13-15H2,1H3
InChIKeySSFMITTWLIBXAW-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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Related Compounds

4-(1-Methyl-1H-imidazol-2-yl)piperidin-4-ol
CID 6483922
4-[(dimethylamino)methyl]-1-[(1-propyl-1H-imidazol-2-yl)methyl]-4-azepanol
CID 56901348
1-[(1-Propylimidazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
CID 70725281
[(3R*,4R*)-1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70755500
{(3R*,4R*)-4-(piperidin-1-ylmethyl)-1-[(1-propyl-1H-imidazol-2-yl)methyl]pyrrolidin-3-yl}methanol
CID 70781451
[1-({(3R*,4R*)-4-(hydroxymethyl)-1-[(1-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-3-yl}methyl)piperidin-4-yl]methanol
CID 72861188
4-(1-methyl-1H-imidazol-2-yl)piperidin-4-ol dihydrochloride
CID 126809376
3-({4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazin-1-yl}methyl)pyrrolidin-3-ol
CID 70709275
3-(1-Methylimidazol-2-yl)pentan-3-ol
CID 63975988
3-(1-Pentylimidazol-2-yl)pentan-3-ol
CID 102490460
3-(1-Cyclohexylimidazol-2-yl)pentan-3-ol
CID 102490470
1-[4-[[Methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 53616567

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-ol (CID 70776255) is 3-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-ol is CCCn1ccnc1CN1CCC(O)(CN2CCCCC2)C1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-ol?
The InChIKey is SSFMITTWLIBXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-2-8-21-12-7-18-16(21)13-20-11-6-17(22,15-20)14-19-9-4-3-5-10-19/h7,12,22H,2-6,8-11,13-15H2,1H3.
What are the key properties of 3-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-ol?
3-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-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 3-(piperidin-1-ylmethyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 70776255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).