3-[2-(2,4-difluorophenyl)ethyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine

C18H23F2N3 — CID 45195941

IUPAC3-[2-(2,4-difluorophenyl)ethyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine
SMILESCc1ncc(CN2CCCC(CCc3ccc(F)cc3F)C2)[nH]1
InChIInChI=1S/C18H23F2N3/c1-13-21-10-17(22-13)12-23-8-2-3-14(11-23)4-5-15-6-7-16(19)9-18(15)20/h6-7,9-10,14H,2-5,8,11-12H2,1H3,(H,21,22)
InChIKeyCVWDHFNUGNRUIF-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.84
Rot. Bonds5

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

3-[2-(2,4-difluorophenyl)ethyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine (PubChem CID 45195941) has the molecular formula C18H23F2N3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-[2-(2,4-difluorophenyl)ethyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[2-(2,4-difluorophenyl)ethyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine
PubChem CID45195941
Molecular FormulaC18H23F2N3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name3-[2-(2,4-difluorophenyl)ethyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine
SMILESCc1ncc(CN2CCCC(CCc3ccc(F)cc3F)C2)[nH]1
InChIInChI=1S/C18H23F2N3/c1-13-21-10-17(22-13)12-23-8-2-3-14(11-23)4-5-15-6-7-16(19)9-18(15)20/h6-7,9-10,14H,2-5,8,11-12H2,1H3,(H,21,22)
InChIKeyCVWDHFNUGNRUIF-UHFFFAOYSA-N
XLogP3.84
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2,4-difluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine
CID 45249520
2-[[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one
CID 56906119
2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 63762828
3-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]propanoic acid
CID 56906622
5-[[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide
CID 95707342
5-[[(3S)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 95727440
2-(4-fluorophenyl)-N-[[(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95199379
2-[(3S)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]propane-1,3-diol
CID 95550680
4-(4-fluorophenoxy)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine
CID 167746466
2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-1,3-thiazole
CID 95866929
N-ethyl-5-[[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine
CID 95455929
1-[(3S)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-hydroxyethanone
CID 95550338

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-difluorophenyl)ethyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine?
The IUPAC name of 3-[2-(2,4-difluorophenyl)ethyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine (CID 45195941) is 3-[2-(2,4-difluorophenyl)ethyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine.
What is the SMILES notation for 3-[2-(2,4-difluorophenyl)ethyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine?
The canonical SMILES for 3-[2-(2,4-difluorophenyl)ethyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine is Cc1ncc(CN2CCCC(CCc3ccc(F)cc3F)C2)[nH]1.
What is the InChIKey of 3-[2-(2,4-difluorophenyl)ethyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine?
The InChIKey is CVWDHFNUGNRUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3/c1-13-21-10-17(22-13)12-23-8-2-3-14(11-23)4-5-15-6-7-16(19)9-18(15)20/h6-7,9-10,14H,2-5,8,11-12H2,1H3,(H,21,22).
What are the key properties of 3-[2-(2,4-difluorophenyl)ethyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine?
3-[2-(2,4-difluorophenyl)ethyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine has a molecular weight of 319.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-difluorophenyl)ethyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine is sourced from PubChem (CID 45195941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).