1-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine

C16H20ClN3O — CID 11449605

IUPAC1-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
SMILESClc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)cc1
InChIInChI=1S/C16H20ClN3O/c17-14-3-1-13(2-4-14)10-20-7-5-16(6-8-20)21-11-15-9-18-12-19-15/h1-4,9,12,16H,5-8,10-11H2,(H,18,19)
InChIKeyKGMSXNJGWDAJIN-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.24
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine

1-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine (PubChem CID 11449605) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
PubChem CID11449605
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name1-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
SMILESClc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)cc1
InChIInChI=1S/C16H20ClN3O/c17-14-3-1-13(2-4-14)10-20-7-5-16(6-8-20)21-11-15-9-18-12-19-15/h1-4,9,12,16H,5-8,10-11H2,(H,18,19)
InChIKeyKGMSXNJGWDAJIN-UHFFFAOYSA-N
XLogP3.24
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-imidazol-5-ylmethoxy)-1-(thiophen-3-ylmethyl)piperidine
CID 11288932
1-[(2,3-dichlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
CID 11290739
4-tert-butyl-2-[4-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]phenyl]-1,3-thiazole
CID 58941735
3-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carbonitrile
CID 11243580
2-(3,4-difluorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone
CID 11198440
2-(2,4-dichlorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone
CID 11394532
4-(1H-imidazol-5-ylmethoxy)-1-[[4-(2-phenylethynyl)thiophen-2-yl]methyl]piperidine
CID 11222655
3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63903233
1-benzyl-4-(1H-imidazol-5-ylmethyl)piperidine
CID 11327520
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine
CID 69118261

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine (CID 11449605) is 1-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine is Clc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
The InChIKey is KGMSXNJGWDAJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c17-14-3-1-13(2-4-14)10-20-7-5-16(6-8-20)21-11-15-9-18-12-19-15/h1-4,9,12,16H,5-8,10-11H2,(H,18,19).
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
1-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine has a molecular weight of 305.81 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine is sourced from PubChem (CID 11449605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).