1-[(1R)-4,4-difluorocyclohex-2-en-1-yl]piperazine

C10H16F2N2 — CID 97050475

IUPAC1-[(1R)-4,4-difluorocyclohex-2-en-1-yl]piperazine
SMILESFC1(F)C=C[C@H](N2CCNCC2)CC1
InChIInChI=1S/C10H16F2N2/c11-10(12)3-1-9(2-4-10)14-7-5-13-6-8-14/h1,3,9,13H,2,4-8H2/t9-/m0/s1
InChIKeyVDMMNQPJQNABML-VIFPVBQESA-N
MW202.25 g/mol
LogP1.25
Rot. Bonds1

About 1-[(1R)-4,4-difluorocyclohex-2-en-1-yl]piperazine

1-[(1R)-4,4-difluorocyclohex-2-en-1-yl]piperazine (PubChem CID 97050475) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-[(1R)-4,4-difluorocyclohex-2-en-1-yl]piperazine.

Molecular Properties

Compound Name1-[(1R)-4,4-difluorocyclohex-2-en-1-yl]piperazine
PubChem CID97050475
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name1-[(1R)-4,4-difluorocyclohex-2-en-1-yl]piperazine
SMILESFC1(F)C=C[C@H](N2CCNCC2)CC1
InChIInChI=1S/C10H16F2N2/c11-10(12)3-1-9(2-4-10)14-7-5-13-6-8-14/h1,3,9,13H,2,4-8H2/t9-/m0/s1
InChIKeyVDMMNQPJQNABML-VIFPVBQESA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4,6-Difluorocyclohexa-1,3-dien-1-yl)piperazine
CID 69965134
(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
CID 70281446
2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]piperazine
CID 118312470
3-(4-Fluorocyclohexa-1,3-dien-1-yl)-1-(2-fluoroethyl)piperazine
CID 163520633
N-methyl-2-piperidin-1-yl-2-[4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]ethanamine
CID 164156924
(2S)-1-N-[(4R)-4-fluorocyclohex-2-en-1-yl]-2-N-methylbutane-1,2-diamine
CID 170133644
1-[1-[3-(Trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethyl]piperazine
CID 173168578
1-(5-Fluorohept-1-en-3-yl)piperazine
CID 174315995
(3R,4R)-1-cyclohexa-2,4-dien-1-yl-4-fluoropiperidin-3-amine
CID 175959386
4,4-Difluoro-1-(5-fluorocyclohexa-2,4-dien-1-yl)piperidin-3-amine
CID 175959387
N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43766392
N-(cyclohex-3-en-1-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61951310

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-4,4-difluorocyclohex-2-en-1-yl]piperazine?
The IUPAC name of 1-[(1R)-4,4-difluorocyclohex-2-en-1-yl]piperazine (CID 97050475) is 1-[(1R)-4,4-difluorocyclohex-2-en-1-yl]piperazine.
What is the SMILES notation for 1-[(1R)-4,4-difluorocyclohex-2-en-1-yl]piperazine?
The canonical SMILES for 1-[(1R)-4,4-difluorocyclohex-2-en-1-yl]piperazine is FC1(F)C=C[C@H](N2CCNCC2)CC1.
What is the InChIKey of 1-[(1R)-4,4-difluorocyclohex-2-en-1-yl]piperazine?
The InChIKey is VDMMNQPJQNABML-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16F2N2/c11-10(12)3-1-9(2-4-10)14-7-5-13-6-8-14/h1,3,9,13H,2,4-8H2/t9-/m0/s1.
What are the key properties of 1-[(1R)-4,4-difluorocyclohex-2-en-1-yl]piperazine?
1-[(1R)-4,4-difluorocyclohex-2-en-1-yl]piperazine has a molecular weight of 202.25 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-4,4-difluorocyclohex-2-en-1-yl]piperazine is sourced from PubChem (CID 97050475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).