1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol

C14H23NO — CID 142188867

IUPAC1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(CCC2=CCCC=C2)CC1
InChIInChI=1S/C14H23NO/c1-14(16)8-11-15(12-9-14)10-7-13-5-3-2-4-6-13/h3,5-6,16H,2,4,7-12H2,1H3
InChIKeyKKYVVDGITBVAFL-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.50
Rot. Bonds3

About 1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol

1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol (PubChem CID 142188867) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol
PubChem CID142188867
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(CCC2=CCCC=C2)CC1
InChIInChI=1S/C14H23NO/c1-14(16)8-11-15(12-9-14)10-7-13-5-3-2-4-6-13/h3,5-6,16H,2,4,7-12H2,1H3
InChIKeyKKYVVDGITBVAFL-UHFFFAOYSA-N
XLogP2.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-(prop-2-en-1-yl)piperidin-4-ol
CID 1506157
4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
CID 134365797
4-(4-Fluorocyclohepta-2,4,6-trien-1-yl)-1-methylpiperidin-4-ol
CID 142097572
1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol
CID 143177636
(E)-2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol
CID 12625783
2,5-Dimethyl-6-piperidinohex-4-en-2-ol
CID 54073601
4-Cyclohepta-1,3,6-trien-1-yl-1-methylpiperidin-4-ol
CID 58361231
4-Methyl-4-hydroxybenzylpiperidine
CID 69949887
4-ethyl-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-4-ol
CID 89840395
4-But-2-en-2-yl-1-methylpiperidin-4-ol
CID 91525335
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol
CID 134365800
4-(3,4-Dimethylcyclohexa-1,5-dien-1-yl)-1-methylpiperidin-4-ol
CID 141791942

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol (CID 142188867) is 1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol is CC1(O)CCN(CCC2=CCCC=C2)CC1.
What is the InChIKey of 1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol?
The InChIKey is KKYVVDGITBVAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(16)8-11-15(12-9-14)10-7-13-5-3-2-4-6-13/h3,5-6,16H,2,4,7-12H2,1H3.
What are the key properties of 1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol?
1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol has a molecular weight of 221.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 142188867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).