2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol

C19H34N4O — CID 29026940

IUPAC2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol
SMILESCCCCc1ncc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)[nH]1
InChIInChI=1S/C19H34N4O/c1-2-3-8-19-20-13-16(21-19)14-22-10-11-23(17-6-4-5-7-17)18(15-22)9-12-24/h13,17-18,24H,2-12,14-15H2,1H3,(H,20,21)/t18-/m0/s1
InChIKeyHJWZPLXCWRKCFH-SFHVURJKSA-N
MW334.51 g/mol
LogP2.56
Rot. Bonds8

About 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol

2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol (PubChem CID 29026940) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol
PubChem CID29026940
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol
SMILESCCCCc1ncc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)[nH]1
InChIInChI=1S/C19H34N4O/c1-2-3-8-19-20-13-16(21-19)14-22-10-11-23(17-6-4-5-7-17)18(15-22)9-12-24/h13,17-18,24H,2-12,14-15H2,1H3,(H,20,21)/t18-/m0/s1
InChIKeyHJWZPLXCWRKCFH-SFHVURJKSA-N
XLogP2.56
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
(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}-4-(methoxymethyl)-3,3-dimethyl-4-piperidinol
CID 72863024
(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
[(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70722274
[3-[(dimethylamino)methyl]-1-(1H-imidazol-4-ylmethyl)piperidin-3-yl]methanol
CID 77088374
1-[(2-Methyl-1H-imidazol-4-YL)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-OL
CID 77097401
(1-{[[(2-butyl-1H-imidazol-4-yl)methyl](methyl)amino]methyl}cyclobutyl)methanol
CID 129617737
N-[[(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]acetamide
CID 164636900
(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine
CID 164637986

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol (CID 29026940) is 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol is CCCCc1ncc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)[nH]1.
What is the InChIKey of 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol?
The InChIKey is HJWZPLXCWRKCFH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H34N4O/c1-2-3-8-19-20-13-16(21-19)14-22-10-11-23(17-6-4-5-7-17)18(15-22)9-12-24/h13,17-18,24H,2-12,14-15H2,1H3,(H,20,21)/t18-/m0/s1.
What are the key properties of 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol?
2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol has a molecular weight of 334.51 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol is sourced from PubChem (CID 29026940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).