1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(2-fluorophenyl)methyl]piperazine

C18H25FN2 — CID 764541

IUPAC1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(2-fluorophenyl)methyl]piperazine
SMILESFc1ccccc1CN1CCN(C[C@H]2CC=CCC2)CC1
InChIInChI=1S/C18H25FN2/c19-18-9-5-4-8-17(18)15-21-12-10-20(11-13-21)14-16-6-2-1-3-7-16/h1-2,4-5,8-9,16H,3,6-7,10-15H2/t16-/m0/s1
InChIKeyASHSTEJRNUUTIG-INIZCTEOSA-N
MW288.41 g/mol
LogP3.30
Rot. Bonds4

About 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(2-fluorophenyl)methyl]piperazine

1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(2-fluorophenyl)methyl]piperazine (PubChem CID 764541) has the molecular formula C18H25FN2 and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(2-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(2-fluorophenyl)methyl]piperazine
PubChem CID764541
Molecular FormulaC18H25FN2
Molecular Weight288.41 g/mol
Exact Mass288.20
IUPAC Name1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(2-fluorophenyl)methyl]piperazine
SMILESFc1ccccc1CN1CCN(C[C@H]2CC=CCC2)CC1
InChIInChI=1S/C18H25FN2/c19-18-9-5-4-8-17(18)15-21-12-10-20(11-13-21)14-16-6-2-1-3-7-16/h1-2,4-5,8-9,16H,3,6-7,10-15H2/t16-/m0/s1
InChIKeyASHSTEJRNUUTIG-INIZCTEOSA-N
XLogP3.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-bromophenyl)methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine
CID 877952
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine
CID 806654
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
CID 42212133
1-(cyclohex-3-en-1-ylmethyl)-4-[(3-fluorophenyl)methyl]piperazine;oxalic acid
CID 2879924
1-(cyclohex-3-en-1-ylmethyl)-4-[(4-ethylphenyl)methyl]piperazine
CID 2901953
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine
CID 796541
1-(1-benzylpiperidin-4-yl)-4-(cyclohex-3-en-1-ylmethyl)piperazine;oxalic acid
CID 17366895
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
1-cyclopentyl-4-[(2-fluorophenyl)methyl]piperazine
CID 740956
[4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 1122466
1-[(3-bromophenyl)methyl]-4-(cyclohex-3-en-1-ylmethyl)piperazine;oxalic acid
CID 2879112

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(2-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(2-fluorophenyl)methyl]piperazine (CID 764541) is 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(2-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(2-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(2-fluorophenyl)methyl]piperazine is Fc1ccccc1CN1CCN(C[C@H]2CC=CCC2)CC1.
What is the InChIKey of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(2-fluorophenyl)methyl]piperazine?
The InChIKey is ASHSTEJRNUUTIG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25FN2/c19-18-9-5-4-8-17(18)15-21-12-10-20(11-13-21)14-16-6-2-1-3-7-16/h1-2,4-5,8-9,16H,3,6-7,10-15H2/t16-/m0/s1.
What are the key properties of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(2-fluorophenyl)methyl]piperazine?
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(2-fluorophenyl)methyl]piperazine has a molecular weight of 288.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(2-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 764541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).