1-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methyl]piperidine

C15H21N3 — CID 82023612

IUPAC1-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methyl]piperidine
SMILESc1ccc(C(C2=NCCN2)N2CCCCC2)cc1
InChIInChI=1S/C15H21N3/c1-3-7-13(8-4-1)14(15-16-9-10-17-15)18-11-5-2-6-12-18/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,16,17)
InChIKeyKBUYQTDOXLTUTM-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.22
Rot. Bonds3

About 1-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methyl]piperidine

1-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methyl]piperidine (PubChem CID 82023612) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methyl]piperidine
PubChem CID82023612
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methyl]piperidine
SMILESc1ccc(C(C2=NCCN2)N2CCCCC2)cc1
InChIInChI=1S/C15H21N3/c1-3-7-13(8-4-1)14(15-16-9-10-17-15)18-11-5-2-6-12-18/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,16,17)
InChIKeyKBUYQTDOXLTUTM-UHFFFAOYSA-N
XLogP2.22
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4,5-dihydro-1H-imidazol-2-yl-(4-fluorophenyl)methyl]piperidine
CID 82023617
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;1-[(R)-(4-chlorophenyl)-phenylmethyl]piperidine;methane
CID 160506934
1-[(4-bromophenyl)-phenylmethyl]pyrrolidine
CID 53217465
1-[phenyl(pyridin-4-yl)methyl]piperazine
CID 5035634
[4-[(R)-phenyl(pyrrolidin-1-yl)methyl]phenyl]boronic acid
CID 99774751
2-[ethoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole
CID 119089815
1-[2-[phenyl(piperidin-1-yl)methyl]phenyl]ethanamine
CID 67763745
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855
1-benzhydryl-4-methylpiperazin-4-ium chloride
CID 517299
2-[1-(3-bromophenyl)propyl]-4,5-dihydro-1H-imidazole
CID 58951733
1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine
CID 140569426
1-(1-benzhydrylazetidin-3-yl)pyrrolidine;pyrrolidine
CID 160596088

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methyl]piperidine?
The IUPAC name of 1-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methyl]piperidine (CID 82023612) is 1-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methyl]piperidine.
What is the SMILES notation for 1-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methyl]piperidine?
The canonical SMILES for 1-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methyl]piperidine is c1ccc(C(C2=NCCN2)N2CCCCC2)cc1.
What is the InChIKey of 1-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methyl]piperidine?
The InChIKey is KBUYQTDOXLTUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-7-13(8-4-1)14(15-16-9-10-17-15)18-11-5-2-6-12-18/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,16,17).
What are the key properties of 1-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methyl]piperidine?
1-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methyl]piperidine has a molecular weight of 243.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methyl]piperidine is sourced from PubChem (CID 82023612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).