1-(6-methylcyclohexa-2,4-dien-1-yl)-1-[(2S)-piperidin-2-yl]ethanol

C14H23NO — CID 138485561

IUPAC1-(6-methylcyclohexa-2,4-dien-1-yl)-1-[(2S)-piperidin-2-yl]ethanol
SMILESCC1C=CC=CC1C(C)(O)[C@@H]1CCCCN1
InChIInChI=1S/C14H23NO/c1-11-7-3-4-8-12(11)14(2,16)13-9-5-6-10-15-13/h3-4,7-8,11-13,15-16H,5-6,9-10H2,1-2H3/t11?,12?,13-,14?/m0/s1
InChIKeyWBGNDNJXJMHIEI-RFPFOJJUSA-N
MW221.34 g/mol
LogP2.26
Rot. Bonds2

About 1-(6-methylcyclohexa-2,4-dien-1-yl)-1-[(2S)-piperidin-2-yl]ethanol

1-(6-methylcyclohexa-2,4-dien-1-yl)-1-[(2S)-piperidin-2-yl]ethanol (PubChem CID 138485561) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(6-methylcyclohexa-2,4-dien-1-yl)-1-[(2S)-piperidin-2-yl]ethanol.

Molecular Properties

Compound Name1-(6-methylcyclohexa-2,4-dien-1-yl)-1-[(2S)-piperidin-2-yl]ethanol
PubChem CID138485561
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(6-methylcyclohexa-2,4-dien-1-yl)-1-[(2S)-piperidin-2-yl]ethanol
SMILESCC1C=CC=CC1C(C)(O)[C@@H]1CCCCN1
InChIInChI=1S/C14H23NO/c1-11-7-3-4-8-12(11)14(2,16)13-9-5-6-10-15-13/h3-4,7-8,11-13,15-16H,5-6,9-10H2,1-2H3/t11?,12?,13-,14?/m0/s1
InChIKeyWBGNDNJXJMHIEI-RFPFOJJUSA-N
XLogP2.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylcyclohexa-2,4-dien-1-yl)-1-[(2S)-piperidin-2-yl]ethanol?
The IUPAC name of 1-(6-methylcyclohexa-2,4-dien-1-yl)-1-[(2S)-piperidin-2-yl]ethanol (CID 138485561) is 1-(6-methylcyclohexa-2,4-dien-1-yl)-1-[(2S)-piperidin-2-yl]ethanol.
What is the SMILES notation for 1-(6-methylcyclohexa-2,4-dien-1-yl)-1-[(2S)-piperidin-2-yl]ethanol?
The canonical SMILES for 1-(6-methylcyclohexa-2,4-dien-1-yl)-1-[(2S)-piperidin-2-yl]ethanol is CC1C=CC=CC1C(C)(O)[C@@H]1CCCCN1.
What is the InChIKey of 1-(6-methylcyclohexa-2,4-dien-1-yl)-1-[(2S)-piperidin-2-yl]ethanol?
The InChIKey is WBGNDNJXJMHIEI-RFPFOJJUSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-7-3-4-8-12(11)14(2,16)13-9-5-6-10-15-13/h3-4,7-8,11-13,15-16H,5-6,9-10H2,1-2H3/t11?,12?,13-,14?/m0/s1.
What are the key properties of 1-(6-methylcyclohexa-2,4-dien-1-yl)-1-[(2S)-piperidin-2-yl]ethanol?
1-(6-methylcyclohexa-2,4-dien-1-yl)-1-[(2S)-piperidin-2-yl]ethanol has a molecular weight of 221.34 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylcyclohexa-2,4-dien-1-yl)-1-[(2S)-piperidin-2-yl]ethanol is sourced from PubChem (CID 138485561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).