1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol

C15H26N4O — CID 77097401

IUPAC1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
SMILESCc1ncc(CN2CCC(O)(CN3CCCC3)CC2)[nH]1
InChIInChI=1S/C15H26N4O/c1-13-16-10-14(17-13)11-18-8-4-15(20,5-9-18)12-19-6-2-3-7-19/h10,20H,2-9,11-12H2,1H3,(H,16,17)
InChIKeyUMWGTODJRDCMOP-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.14
Rot. Bonds4

About 1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol

1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol (PubChem CID 77097401) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
PubChem CID77097401
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
SMILESCc1ncc(CN2CCC(O)(CN3CCCC3)CC2)[nH]1
InChIInChI=1S/C15H26N4O/c1-13-16-10-14(17-13)11-18-8-4-15(20,5-9-18)12-19-6-2-3-7-19/h10,20H,2-9,11-12H2,1H3,(H,16,17)
InChIKeyUMWGTODJRDCMOP-UHFFFAOYSA-N
XLogP1.14
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(1H,1'H-2,4'-biimidazol-1-yl)propyl]piperidin-4-ol
CID 56869519
1-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-3-(pyrrolidin-1-ylmethyl)piperidin-3-OL
CID 70741424
1-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-3-(piperidin-1-ylmethyl)pyrrolidin-3-OL
CID 70773840
(3R*,4S*)-1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-3,4-dimethylpiperidin-4-ol
CID 70775672
(4S*)-1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-3,3,4-trimethylpiperidin-4-ol
CID 72931447
2-{4-[(2-butyl-1H-imidazol-4-yl)methyl]-1-cyclopentyl-2-piperazinyl}ethanol
CID 45243230
1-(1H-Imidazol-4-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-OL
CID 70710432
1-(1H-imidazol-4-ylmethyl)-4-[1-(1-pyrrolidinyl)ethyl]piperidine
CID 70717894
[(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70722274
(4S)-1-(1H-imidazol-4-ylmethyl)-3,3,4-trimethyl-4-piperidinol
CID 72866596
(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol
CID 72910348
(5R)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95869327

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol (CID 77097401) is 1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol is Cc1ncc(CN2CCC(O)(CN3CCCC3)CC2)[nH]1.
What is the InChIKey of 1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The InChIKey is UMWGTODJRDCMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-13-16-10-14(17-13)11-18-8-4-15(20,5-9-18)12-19-6-2-3-7-19/h10,20H,2-9,11-12H2,1H3,(H,16,17).
What are the key properties of 1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol has a molecular weight of 278.40 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 77097401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).