1-[2-[(6S)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]propyl]piperazine

C14H23FN2 — CID 164861830

IUPAC1-[2-[(6S)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]propyl]piperazine
SMILESCC(CN1CCNCC1)C1=CC=C(F)C[C@@H]1C
InChIInChI=1S/C14H23FN2/c1-11-9-13(15)3-4-14(11)12(2)10-17-7-5-16-6-8-17/h3-4,11-12,16H,5-10H2,1-2H3/t11-,12?/m0/s1
InChIKeyOANIAUHVOIEAQF-PXYINDEMSA-N
MW238.35 g/mol
LogP2.35
Rot. Bonds3

About 1-[2-[(6S)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]propyl]piperazine

1-[2-[(6S)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]propyl]piperazine (PubChem CID 164861830) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-[2-[(6S)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]propyl]piperazine.

Molecular Properties

Compound Name1-[2-[(6S)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]propyl]piperazine
PubChem CID164861830
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name1-[2-[(6S)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]propyl]piperazine
SMILESCC(CN1CCNCC1)C1=CC=C(F)C[C@@H]1C
InChIInChI=1S/C14H23FN2/c1-11-9-13(15)3-4-14(11)12(2)10-17-7-5-16-6-8-17/h3-4,11-12,16H,5-10H2,1-2H3/t11-,12?/m0/s1
InChIKeyOANIAUHVOIEAQF-PXYINDEMSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6S)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]propyl]piperazine?
The IUPAC name of 1-[2-[(6S)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]propyl]piperazine (CID 164861830) is 1-[2-[(6S)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]propyl]piperazine.
What is the SMILES notation for 1-[2-[(6S)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]propyl]piperazine?
The canonical SMILES for 1-[2-[(6S)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]propyl]piperazine is CC(CN1CCNCC1)C1=CC=C(F)C[C@@H]1C.
What is the InChIKey of 1-[2-[(6S)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]propyl]piperazine?
The InChIKey is OANIAUHVOIEAQF-PXYINDEMSA-N. The full InChI is InChI=1S/C14H23FN2/c1-11-9-13(15)3-4-14(11)12(2)10-17-7-5-16-6-8-17/h3-4,11-12,16H,5-10H2,1-2H3/t11-,12?/m0/s1.
What are the key properties of 1-[2-[(6S)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]propyl]piperazine?
1-[2-[(6S)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]propyl]piperazine has a molecular weight of 238.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6S)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]propyl]piperazine is sourced from PubChem (CID 164861830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).