[1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]methanol

C21H30ClN3O — CID 56705169

IUPAC[1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]methanol
SMILESCCCCc1ncc(CN2CCC(CO)(Cc3ccc(Cl)cc3)CC2)[nH]1
InChIInChI=1S/C21H30ClN3O/c1-2-3-4-20-23-14-19(24-20)15-25-11-9-21(16-26,10-12-25)13-17-5-7-18(22)8-6-17/h5-8,14,26H,2-4,9-13,15-16H2,1H3,(H,23,24)
InChIKeyLMRLFDCMDDPSKD-UHFFFAOYSA-N
MW375.94 g/mol
LogP4.22
Rot. Bonds8

About [1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]methanol

[1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]methanol (PubChem CID 56705169) has the molecular formula C21H30ClN3O and a molecular weight of 375.94 g/mol. Its IUPAC name is [1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]methanol
PubChem CID56705169
Molecular FormulaC21H30ClN3O
Molecular Weight375.94 g/mol
Exact Mass375.21
IUPAC Name[1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]methanol
SMILESCCCCc1ncc(CN2CCC(CO)(Cc3ccc(Cl)cc3)CC2)[nH]1
InChIInChI=1S/C21H30ClN3O/c1-2-3-4-20-23-14-19(24-20)15-25-11-9-21(16-26,10-12-25)13-17-5-7-18(22)8-6-17/h5-8,14,26H,2-4,9-13,15-16H2,1H3,(H,23,24)
InChIKeyLMRLFDCMDDPSKD-UHFFFAOYSA-N
XLogP4.22
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.94
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25274405
8-[(2-butyl-1H-imidazol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26140769
1'-[(2-butyl-1H-imidazol-5-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70748231
2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45205775
1-(benzenesulfonyl)-4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazine
CID 56906121
(3R)-4-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-ethyl-1,4-diazepan-5-one
CID 95402715
(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97136190
2-benzyl-7-[(2-butyl-1H-imidazol-5-yl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine
CID 163306292
1-[1'-[(2-butyl-1H-imidazol-5-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
CID 72928181
8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 118758146
N-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-methylpiperidin-3-amine
CID 45228125
1-[4-[[4-[(2-butyl-1H-imidazol-5-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone
CID 118758853

Frequently Asked Questions

What is the IUPAC name of [1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]methanol (CID 56705169) is [1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]methanol is CCCCc1ncc(CN2CCC(CO)(Cc3ccc(Cl)cc3)CC2)[nH]1.
What is the InChIKey of [1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]methanol?
The InChIKey is LMRLFDCMDDPSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O/c1-2-3-4-20-23-14-19(24-20)15-25-11-9-21(16-26,10-12-25)13-17-5-7-18(22)8-6-17/h5-8,14,26H,2-4,9-13,15-16H2,1H3,(H,23,24).
What are the key properties of [1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]methanol?
[1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]methanol has a molecular weight of 375.94 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 56705169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).