1-cyclohexa-2,4-dien-1-yl-1-[(2S)-piperidin-2-yl]ethanol

C13H21NO — CID 155141440

IUPAC1-cyclohexa-2,4-dien-1-yl-1-[(2S)-piperidin-2-yl]ethanol
SMILESCC(O)(C1C=CC=CC1)[C@@H]1CCCCN1
InChIInChI=1S/C13H21NO/c1-13(15,11-7-3-2-4-8-11)12-9-5-6-10-14-12/h2-4,7,11-12,14-15H,5-6,8-10H2,1H3/t11?,12-,13?/m0/s1
InChIKeyLPXDXKBNNCUIJK-CPCZMJQVSA-N
MW207.32 g/mol
LogP2.01
Rot. Bonds2

About 1-cyclohexa-2,4-dien-1-yl-1-[(2S)-piperidin-2-yl]ethanol

1-cyclohexa-2,4-dien-1-yl-1-[(2S)-piperidin-2-yl]ethanol (PubChem CID 155141440) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-cyclohexa-2,4-dien-1-yl-1-[(2S)-piperidin-2-yl]ethanol.

Molecular Properties

Compound Name1-cyclohexa-2,4-dien-1-yl-1-[(2S)-piperidin-2-yl]ethanol
PubChem CID155141440
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-cyclohexa-2,4-dien-1-yl-1-[(2S)-piperidin-2-yl]ethanol
SMILESCC(O)(C1C=CC=CC1)[C@@H]1CCCCN1
InChIInChI=1S/C13H21NO/c1-13(15,11-7-3-2-4-8-11)12-9-5-6-10-14-12/h2-4,7,11-12,14-15H,5-6,8-10H2,1H3/t11?,12-,13?/m0/s1
InChIKeyLPXDXKBNNCUIJK-CPCZMJQVSA-N
XLogP2.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-2,4-dien-1-yl-1-[(2S)-piperidin-2-yl]ethanol?
The IUPAC name of 1-cyclohexa-2,4-dien-1-yl-1-[(2S)-piperidin-2-yl]ethanol (CID 155141440) is 1-cyclohexa-2,4-dien-1-yl-1-[(2S)-piperidin-2-yl]ethanol.
What is the SMILES notation for 1-cyclohexa-2,4-dien-1-yl-1-[(2S)-piperidin-2-yl]ethanol?
The canonical SMILES for 1-cyclohexa-2,4-dien-1-yl-1-[(2S)-piperidin-2-yl]ethanol is CC(O)(C1C=CC=CC1)[C@@H]1CCCCN1.
What is the InChIKey of 1-cyclohexa-2,4-dien-1-yl-1-[(2S)-piperidin-2-yl]ethanol?
The InChIKey is LPXDXKBNNCUIJK-CPCZMJQVSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(15,11-7-3-2-4-8-11)12-9-5-6-10-14-12/h2-4,7,11-12,14-15H,5-6,8-10H2,1H3/t11?,12-,13?/m0/s1.
What are the key properties of 1-cyclohexa-2,4-dien-1-yl-1-[(2S)-piperidin-2-yl]ethanol?
1-cyclohexa-2,4-dien-1-yl-1-[(2S)-piperidin-2-yl]ethanol has a molecular weight of 207.32 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,4-dien-1-yl-1-[(2S)-piperidin-2-yl]ethanol is sourced from PubChem (CID 155141440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).