4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidine

C16H21N3 — CID 141030931

IUPAC4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidine
SMILESc1ccc(CC2CCN(Cc3cnc[nH]3)CC2)cc1
InChIInChI=1S/C16H21N3/c1-2-4-14(5-3-1)10-15-6-8-19(9-7-15)12-16-11-17-13-18-16/h1-5,11,13,15H,6-10,12H2,(H,17,18)
InChIKeyWDUPFINORSRDBY-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.86
Rot. Bonds4

About 4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidine

4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidine (PubChem CID 141030931) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidine
PubChem CID141030931
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidine
SMILESc1ccc(CC2CCN(Cc3cnc[nH]3)CC2)cc1
InChIInChI=1S/C16H21N3/c1-2-4-14(5-3-1)10-15-6-8-19(9-7-15)12-16-11-17-13-18-16/h1-5,11,13,15H,6-10,12H2,(H,17,18)
InChIKeyWDUPFINORSRDBY-UHFFFAOYSA-N
XLogP2.86
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-(1H-imidazol-5-ylmethyl)piperidine
CID 11327520
4-(fluoromethyl)-1-(1H-imidazol-5-ylmethyl)piperidine
CID 154760047
1-(1H-imidazol-5-ylmethyl)-4-(3-phenylpropyl)-1,4-diazepane
CID 56917910
4-benzyl-3-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 56874620
4-[[(3S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]quinoline
CID 124946132
1-ethyl-4-(1H-imidazol-5-ylmethyl)piperidine
CID 11164099
1,5-bis(1H-imidazol-5-ylmethyl)-1,5-diazocane
CID 71447015
3-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084269
1-[[1-(1H-imidazol-5-ylmethyl)azepan-4-yl]methyl]pyrrolo[1,2-a]pyrazine
CID 110098856
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride
CID 174338495
2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]ethanol
CID 115747077

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidine?
The IUPAC name of 4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidine (CID 141030931) is 4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidine.
What is the SMILES notation for 4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidine?
The canonical SMILES for 4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidine is c1ccc(CC2CCN(Cc3cnc[nH]3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidine?
The InChIKey is WDUPFINORSRDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-4-14(5-3-1)10-15-6-8-19(9-7-15)12-16-11-17-13-18-16/h1-5,11,13,15H,6-10,12H2,(H,17,18).
What are the key properties of 4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidine?
4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidine has a molecular weight of 255.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidine is sourced from PubChem (CID 141030931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).