[1-[[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol

C18H25ClN4O — CID 111778087

IUPAC[1-[[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
SMILESCn1c(Cl)cnc1CNc1ccccc1CN1CCC(CO)CC1
InChIInChI=1S/C18H25ClN4O/c1-22-17(19)10-21-18(22)11-20-16-5-3-2-4-15(16)12-23-8-6-14(13-24)7-9-23/h2-5,10,14,20,24H,6-9,11-13H2,1H3
InChIKeyRZCJHNMAAVVJAU-UHFFFAOYSA-N
MW348.88 g/mol
LogP2.89
Rot. Bonds6

About [1-[[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol

[1-[[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 111778087) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is [1-[[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
PubChem CID111778087
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name[1-[[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
SMILESCn1c(Cl)cnc1CNc1ccccc1CN1CCC(CO)CC1
InChIInChI=1S/C18H25ClN4O/c1-22-17(19)10-21-18(22)11-20-16-5-3-2-4-15(16)12-23-8-6-14(13-24)7-9-23/h2-5,10,14,20,24H,6-9,11-13H2,1H3
InChIKeyRZCJHNMAAVVJAU-UHFFFAOYSA-N
XLogP2.89
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol with MolForge

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Related Compounds

[1-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 110932857
[1-[[2-[(1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 109482213
1-[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]piperidin-4-ol
CID 111778083
N,N-diethyl-2-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]acetamide
CID 110932866
[1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 111976965
5-chloro-N-[[2-[(1-propylpiperidin-4-yl)methylamino]phenyl]methyl]pyridin-2-amine
CID 163746981
cis-(1S,3R)-3-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]cyclohexane-1-carbonitrile
CID 124625572
1-[[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]methyl]piperidin-4-ol
CID 111432948
[1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 106993477
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515349
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-propylpiperidin-4-amine
CID 60695637
2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 78823802

Frequently Asked Questions

What is the IUPAC name of [1-[[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol (CID 111778087) is [1-[[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol is Cn1c(Cl)cnc1CNc1ccccc1CN1CCC(CO)CC1.
What is the InChIKey of [1-[[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol?
The InChIKey is RZCJHNMAAVVJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O/c1-22-17(19)10-21-18(22)11-20-16-5-3-2-4-15(16)12-23-8-6-14(13-24)7-9-23/h2-5,10,14,20,24H,6-9,11-13H2,1H3.
What are the key properties of [1-[[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol?
[1-[[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol has a molecular weight of 348.88 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 111778087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).