ethane;7-fluoro-2-methylcyclohepta-1,3-diene;1-methylpiperidin-3-ol

C16H30FNO — CID 143099799

IUPACethane;7-fluoro-2-methylcyclohepta-1,3-diene;1-methylpiperidin-3-ol
SMILESCC.CC1=CC(F)CCC=C1.CN1CCCC(O)C1
InChIInChI=1S/C8H11F.C6H13NO.C2H6/c1-7-4-2-3-5-8(9)6-7;1-7-4-2-3-6(8)5-7;1-2/h2,4,6,8H,3,5H2,1H3;6,8H,2-5H2,1H3;1-2H3
InChIKeyFETCMSMFMAJTEM-UHFFFAOYSA-N
MW271.42 g/mol
LogP3.72
Rot. Bonds

About ethane;7-fluoro-2-methylcyclohepta-1,3-diene;1-methylpiperidin-3-ol

ethane;7-fluoro-2-methylcyclohepta-1,3-diene;1-methylpiperidin-3-ol (PubChem CID 143099799) has the molecular formula C16H30FNO and a molecular weight of 271.42 g/mol. Its IUPAC name is ethane;7-fluoro-2-methylcyclohepta-1,3-diene;1-methylpiperidin-3-ol.

Molecular Properties

Compound Nameethane;7-fluoro-2-methylcyclohepta-1,3-diene;1-methylpiperidin-3-ol
PubChem CID143099799
Molecular FormulaC16H30FNO
Molecular Weight271.42 g/mol
Exact Mass271.23
IUPAC Nameethane;7-fluoro-2-methylcyclohepta-1,3-diene;1-methylpiperidin-3-ol
SMILESCC.CC1=CC(F)CCC=C1.CN1CCCC(O)C1
InChIInChI=1S/C8H11F.C6H13NO.C2H6/c1-7-4-2-3-5-8(9)6-7;1-7-4-2-3-6(8)5-7;1-2/h2,4,6,8H,3,5H2,1H3;6,8H,2-5H2,1H3;1-2H3
InChIKeyFETCMSMFMAJTEM-UHFFFAOYSA-N
XLogP3.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-((E)-1,5,9-Trimethyl-deca-4,8-dienyl)-piperidin-3-ol
CID 44271509
1-[4-[(3E,5Z)-3-fluoro-2-methylhepta-1,3,5-trienyl]piperidin-1-yl]propan-2-ol
CID 143466122
Ethane;3-fluoroprop-1-ene;1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol
CID 143413380
(3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol;fluoromethane
CID 143834975
1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol;prop-1-ene
CID 164543501
(3S)-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidin-3-ol
CID 167190717
1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol
CID 164543502
1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperidine-3,4-diol
CID 178007656

Frequently Asked Questions

What is the IUPAC name of ethane;7-fluoro-2-methylcyclohepta-1,3-diene;1-methylpiperidin-3-ol?
The IUPAC name of ethane;7-fluoro-2-methylcyclohepta-1,3-diene;1-methylpiperidin-3-ol (CID 143099799) is ethane;7-fluoro-2-methylcyclohepta-1,3-diene;1-methylpiperidin-3-ol.
What is the SMILES notation for ethane;7-fluoro-2-methylcyclohepta-1,3-diene;1-methylpiperidin-3-ol?
The canonical SMILES for ethane;7-fluoro-2-methylcyclohepta-1,3-diene;1-methylpiperidin-3-ol is CC.CC1=CC(F)CCC=C1.CN1CCCC(O)C1.
What is the InChIKey of ethane;7-fluoro-2-methylcyclohepta-1,3-diene;1-methylpiperidin-3-ol?
The InChIKey is FETCMSMFMAJTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F.C6H13NO.C2H6/c1-7-4-2-3-5-8(9)6-7;1-7-4-2-3-6(8)5-7;1-2/h2,4,6,8H,3,5H2,1H3;6,8H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;7-fluoro-2-methylcyclohepta-1,3-diene;1-methylpiperidin-3-ol?
ethane;7-fluoro-2-methylcyclohepta-1,3-diene;1-methylpiperidin-3-ol has a molecular weight of 271.42 g/mol, XLogP of 3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-fluoro-2-methylcyclohepta-1,3-diene;1-methylpiperidin-3-ol is sourced from PubChem (CID 143099799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).