1-(1H-imidazol-2-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol

C14H24N4O — CID 70745481

IUPAC1-(1H-imidazol-2-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
SMILESOC1(CN2CCCCC2)CCN(Cc2ncc[nH]2)C1
InChIInChI=1S/C14H24N4O/c19-14(11-17-7-2-1-3-8-17)4-9-18(12-14)10-13-15-5-6-16-13/h5-6,19H,1-4,7-12H2,(H,15,16)
InChIKeyLNVBFAZODKSKKB-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.83
Rot. Bonds4

About 1-(1H-imidazol-2-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol

1-(1H-imidazol-2-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol (PubChem CID 70745481) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
PubChem CID70745481
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-(1H-imidazol-2-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
SMILESOC1(CN2CCCCC2)CCN(Cc2ncc[nH]2)C1
InChIInChI=1S/C14H24N4O/c19-14(11-17-7-2-1-3-8-17)4-9-18(12-14)10-13-15-5-6-16-13/h5-6,19H,1-4,7-12H2,(H,15,16)
InChIKeyLNVBFAZODKSKKB-UHFFFAOYSA-N
XLogP0.83
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-Methyl-1H-imidazol-2-yl)piperidin-4-ol
CID 6483922
1-[(1-Propylimidazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
CID 70725281
3-(piperidin-1-ylmethyl)-1-[(1-propyl-1H-imidazol-2-yl)methyl]pyrrolidin-3-ol
CID 70776255
4-(1H-Imidazol-2-yl)piperidin-4-ol
CID 45120955
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
1-(1H-Imidazol-4-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-OL
CID 70710432
3-ethyl-8-(1H-imidazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70781323
(3S)-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]piperidin-3-ol
CID 95896734
3-(1H-imidazol-2-yl)pentan-3-ol
CID 45120624
1-(1H-imidazol-2-ylmethyl)-4-(trifluoromethyl)piperidin-4-ol
CID 109885294
1-Ethyl-3-(2-piperidin-1-ylethyl)-2-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]guanidine
CID 111416297

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol (CID 70745481) is 1-(1H-imidazol-2-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol is OC1(CN2CCCCC2)CCN(Cc2ncc[nH]2)C1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
The InChIKey is LNVBFAZODKSKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c19-14(11-17-7-2-1-3-8-17)4-9-18(12-14)10-13-15-5-6-16-13/h5-6,19H,1-4,7-12H2,(H,15,16).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
1-(1H-imidazol-2-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol has a molecular weight of 264.37 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 70745481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).