4-[2-[(2S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol

C18H25N3O — CID 99956649

IUPAC4-[2-[(2S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol
SMILESCc1ncc(CN2CCCC[C@H]2CCc2ccc(O)cc2)[nH]1
InChIInChI=1S/C18H25N3O/c1-14-19-12-16(20-14)13-21-11-3-2-4-17(21)8-5-15-6-9-18(22)10-7-15/h6-7,9-10,12,17,22H,2-5,8,11,13H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyGCWUFCPSZXVWTH-KRWDZBQOSA-N
MW299.42 g/mol
LogP3.41
Rot. Bonds5

About 4-[2-[(2S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol

4-[2-[(2S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol (PubChem CID 99956649) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-[2-[(2S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(2S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol
PubChem CID99956649
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name4-[2-[(2S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol
SMILESCc1ncc(CN2CCCC[C@H]2CCc2ccc(O)cc2)[nH]1
InChIInChI=1S/C18H25N3O/c1-14-19-12-16(20-14)13-21-11-3-2-4-17(21)8-5-15-6-9-18(22)10-7-15/h6-7,9-10,12,17,22H,2-5,8,11,13H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyGCWUFCPSZXVWTH-KRWDZBQOSA-N
XLogP3.41
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-[(2S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol 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

4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]phenol
CID 80670897
2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine
CID 95869234
3-[2-[(2R)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]phenol
CID 164641718
4-[2-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]ethyl]phenol
CID 95727588
(2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine
CID 95876965
2-[1-[(4-fluorophenyl)methyl]-4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 45185727
(2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95721516
[(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 97139701
5-[2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 70706334
3-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-2-yl]ethyl]phenol
CID 131907120
4-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol
CID 95706787
(2S)-2-(methoxymethyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine
CID 29183731

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol?
The IUPAC name of 4-[2-[(2S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol (CID 99956649) is 4-[2-[(2S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[(2S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[(2S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol is Cc1ncc(CN2CCCC[C@H]2CCc2ccc(O)cc2)[nH]1.
What is the InChIKey of 4-[2-[(2S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol?
The InChIKey is GCWUFCPSZXVWTH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14-19-12-16(20-14)13-21-11-3-2-4-17(21)8-5-15-6-9-18(22)10-7-15/h6-7,9-10,12,17,22H,2-5,8,11,13H2,1H3,(H,19,20)/t17-/m0/s1.
What are the key properties of 4-[2-[(2S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol?
4-[2-[(2S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol has a molecular weight of 299.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol is sourced from PubChem (CID 99956649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).