2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]-5-[(3-fluorophenyl)methyl]pyridine

C24H29FN2 — CID 124995569

IUPAC2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]-5-[(3-fluorophenyl)methyl]pyridine
SMILESFc1cccc(Cc2ccc(C3CCN(C[C@@H]4CC=CCC4)CC3)nc2)c1
InChIInChI=1S/C24H29FN2/c25-23-8-4-7-20(16-23)15-21-9-10-24(26-17-21)22-11-13-27(14-12-22)18-19-5-2-1-3-6-19/h1-2,4,7-10,16-17,19,22H,3,5-6,11-15,18H2/t19-/m1/s1
InChIKeyQNCMKOPQBNHFCM-LJQANCHMSA-N
MW364.51 g/mol
LogP5.35
Rot. Bonds5

About 2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]-5-[(3-fluorophenyl)methyl]pyridine

2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]-5-[(3-fluorophenyl)methyl]pyridine (PubChem CID 124995569) has the molecular formula C24H29FN2 and a molecular weight of 364.51 g/mol. Its IUPAC name is 2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]-5-[(3-fluorophenyl)methyl]pyridine.

Molecular Properties

Compound Name2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]-5-[(3-fluorophenyl)methyl]pyridine
PubChem CID124995569
Molecular FormulaC24H29FN2
Molecular Weight364.51 g/mol
Exact Mass364.23
IUPAC Name2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]-5-[(3-fluorophenyl)methyl]pyridine
SMILESFc1cccc(Cc2ccc(C3CCN(C[C@@H]4CC=CCC4)CC3)nc2)c1
InChIInChI=1S/C24H29FN2/c25-23-8-4-7-20(16-23)15-21-9-10-24(26-17-21)22-11-13-27(14-12-22)18-19-5-2-1-3-6-19/h1-2,4,7-10,16-17,19,22H,3,5-6,11-15,18H2/t19-/m1/s1
InChIKeyQNCMKOPQBNHFCM-LJQANCHMSA-N
XLogP5.35
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]-5-[(3-fluorophenyl)methyl]pyridine with MolForge

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Related Compounds

1-(cyclohex-3-en-1-ylmethyl)-4-[(3-fluorophenyl)methyl]piperazine;oxalic acid
CID 2879924
N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67268177
3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110264024
2-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-[(3-fluorophenyl)methyl]pyridine
CID 124975359
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine
CID 796541
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 92615597
1-(cyclohex-3-en-1-ylmethyl)-4-[(4-ethylphenyl)methyl]piperazine
CID 2901953
5-[[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 95834716
2-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-5-[(3-fluorophenyl)methyl]-1,3-oxazole
CID 124985322
1-(cyclopropylmethyl)-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-oxopyridazine-3-carboxamide
CID 139512605
1-benzylsulfonyl-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine
CID 7026506
2-[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 95809871

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]-5-[(3-fluorophenyl)methyl]pyridine?
The IUPAC name of 2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]-5-[(3-fluorophenyl)methyl]pyridine (CID 124995569) is 2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]-5-[(3-fluorophenyl)methyl]pyridine.
What is the SMILES notation for 2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]-5-[(3-fluorophenyl)methyl]pyridine?
The canonical SMILES for 2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]-5-[(3-fluorophenyl)methyl]pyridine is Fc1cccc(Cc2ccc(C3CCN(C[C@@H]4CC=CCC4)CC3)nc2)c1.
What is the InChIKey of 2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]-5-[(3-fluorophenyl)methyl]pyridine?
The InChIKey is QNCMKOPQBNHFCM-LJQANCHMSA-N. The full InChI is InChI=1S/C24H29FN2/c25-23-8-4-7-20(16-23)15-21-9-10-24(26-17-21)22-11-13-27(14-12-22)18-19-5-2-1-3-6-19/h1-2,4,7-10,16-17,19,22H,3,5-6,11-15,18H2/t19-/m1/s1.
What are the key properties of 2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]-5-[(3-fluorophenyl)methyl]pyridine?
2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]-5-[(3-fluorophenyl)methyl]pyridine has a molecular weight of 364.51 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]-5-[(3-fluorophenyl)methyl]pyridine is sourced from PubChem (CID 124995569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).