4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine

C16H21N3O — CID 61030336

IUPAC4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine
SMILESCOc1cccc(-c2cnc(CC3CCNCC3)[nH]2)c1
InChIInChI=1S/C16H21N3O/c1-20-14-4-2-3-13(10-14)15-11-18-16(19-15)9-12-5-7-17-8-6-12/h2-4,10-12,17H,5-9H2,1H3,(H,18,19)
InChIKeyQSYLWHOKUKVANS-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.63
Rot. Bonds4

About 4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine

4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine (PubChem CID 61030336) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine
PubChem CID61030336
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine
SMILESCOc1cccc(-c2cnc(CC3CCNCC3)[nH]2)c1
InChIInChI=1S/C16H21N3O/c1-20-14-4-2-3-13(10-14)15-11-18-16(19-15)9-12-5-7-17-8-6-12/h2-4,10-12,17H,5-9H2,1H3,(H,18,19)
InChIKeyQSYLWHOKUKVANS-UHFFFAOYSA-N
XLogP2.63
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethanethiol
CID 116879358
6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651783
5-(3-bromo-4-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
CID 116877630
5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole
CID 166267490
3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851877
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 116876810
4-[[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]methyl]piperidine
CID 61029255
4-[2-(3-methoxyphenoxy)ethyl]piperidine
CID 26192450
5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61366282
7-methoxy-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine
CID 117142954
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-2-amine
CID 60846812
4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine
CID 114998934

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine?
The IUPAC name of 4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine (CID 61030336) is 4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine.
What is the SMILES notation for 4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine?
The canonical SMILES for 4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine is COc1cccc(-c2cnc(CC3CCNCC3)[nH]2)c1.
What is the InChIKey of 4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine?
The InChIKey is QSYLWHOKUKVANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-14-4-2-3-13(10-14)15-11-18-16(19-15)9-12-5-7-17-8-6-12/h2-4,10-12,17H,5-9H2,1H3,(H,18,19).
What are the key properties of 4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine?
4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine has a molecular weight of 271.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine is sourced from PubChem (CID 61030336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).