[4-methyl-1-[2-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidin-4-yl]methanol

C16H27NO — CID 142067485

IUPAC[4-methyl-1-[2-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidin-4-yl]methanol
SMILESCC1C=CC=C(CCN2CCC(C)(CO)CC2)C1
InChIInChI=1S/C16H27NO/c1-14-4-3-5-15(12-14)6-9-17-10-7-16(2,13-18)8-11-17/h3-5,14,18H,6-13H2,1-2H3
InChIKeyIVIGEOIAPZUWER-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.99
Rot. Bonds4

About [4-methyl-1-[2-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidin-4-yl]methanol

[4-methyl-1-[2-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidin-4-yl]methanol (PubChem CID 142067485) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is [4-methyl-1-[2-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-methyl-1-[2-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidin-4-yl]methanol
PubChem CID142067485
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name[4-methyl-1-[2-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidin-4-yl]methanol
SMILESCC1C=CC=C(CCN2CCC(C)(CO)CC2)C1
InChIInChI=1S/C16H27NO/c1-14-4-3-5-15(12-14)6-9-17-10-7-16(2,13-18)8-11-17/h3-5,14,18H,6-13H2,1-2H3
InChIKeyIVIGEOIAPZUWER-UHFFFAOYSA-N
XLogP2.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[2-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidin-4-yl]methanol?
The IUPAC name of [4-methyl-1-[2-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidin-4-yl]methanol (CID 142067485) is [4-methyl-1-[2-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-methyl-1-[2-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-methyl-1-[2-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidin-4-yl]methanol is CC1C=CC=C(CCN2CCC(C)(CO)CC2)C1.
What is the InChIKey of [4-methyl-1-[2-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidin-4-yl]methanol?
The InChIKey is IVIGEOIAPZUWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-14-4-3-5-15(12-14)6-9-17-10-7-16(2,13-18)8-11-17/h3-5,14,18H,6-13H2,1-2H3.
What are the key properties of [4-methyl-1-[2-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidin-4-yl]methanol?
[4-methyl-1-[2-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidin-4-yl]methanol has a molecular weight of 249.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[2-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 142067485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).