ethane;[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol

C18H31NO — CID 143533081

IUPACethane;[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol
SMILESC=C/C=C\C(=C/C=C)CN1CCC(C)(CO)CC1.CC
InChIInChI=1S/C16H25NO.C2H6/c1-4-6-8-15(7-5-2)13-17-11-9-16(3,14-18)10-12-17;1-2/h4-8,18H,1-2,9-14H2,3H3;1-2H3/b8-6-,15-7+;
InChIKeyQTILIPSHKVSFKV-MMWRLFOHSA-N
MW277.45 g/mol
LogP3.96
Rot. Bonds6

About ethane;[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol

ethane;[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol (PubChem CID 143533081) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is ethane;[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Nameethane;[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol
PubChem CID143533081
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Nameethane;[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol
SMILESC=C/C=C\C(=C/C=C)CN1CCC(C)(CO)CC1.CC
InChIInChI=1S/C16H25NO.C2H6/c1-4-6-8-15(7-5-2)13-17-11-9-16(3,14-18)10-12-17;1-2/h4-8,18H,1-2,9-14H2,3H3;1-2H3/b8-6-,15-7+;
InChIKeyQTILIPSHKVSFKV-MMWRLFOHSA-N
XLogP3.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(3E,5Z)-4-(aminomethyl)hepta-1,3,5-trien-2-yl]piperidin-1-yl]-3,3-dimethylbutan-1-ol
CID 89126411
2-(3-hexa-2,4-dien-3-yl-1-methyl-4,7-dihydro-2H-azepin-3-yl)ethanol
CID 91098845
[1-(Cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-yl]methanol
CID 118281619
[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol
CID 122535899
4,8-Dimethyl-3-prop-1-enyl-8-azaspiro[4.5]dec-3-en-1-ol
CID 123981427
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-dimethylbutan-1-ol
CID 139362657
3,3,5,5-tetramethyl-1-[(2Z,4Z)-4-methylhexa-2,4-dienyl]piperidin-4-ol
CID 139470817
[4-Methyl-1-[2-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidin-4-yl]methanol
CID 142067485
[1-[(3Z,5Z)-2-methylocta-3,5-dienyl]piperidin-4-yl]methanol
CID 142940201
[1-Methyl-4-(prop-2-en-1-yl)piperidin-4-yl]methanol
CID 143739834
[1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methylpiperidin-4-yl]methanol
CID 145440061
(1-Tert-butyl-4-phenylpiperidin-4-yl)methanol;carbanide;yttrium
CID 147093121

Frequently Asked Questions

What is the IUPAC name of ethane;[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol?
The IUPAC name of ethane;[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol (CID 143533081) is ethane;[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol.
What is the SMILES notation for ethane;[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol?
The canonical SMILES for ethane;[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol is C=C/C=C\C(=C/C=C)CN1CCC(C)(CO)CC1.CC.
What is the InChIKey of ethane;[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol?
The InChIKey is QTILIPSHKVSFKV-MMWRLFOHSA-N. The full InChI is InChI=1S/C16H25NO.C2H6/c1-4-6-8-15(7-5-2)13-17-11-9-16(3,14-18)10-12-17;1-2/h4-8,18H,1-2,9-14H2,3H3;1-2H3/b8-6-,15-7+;.
What are the key properties of ethane;[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol?
ethane;[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol has a molecular weight of 277.45 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol is sourced from PubChem (CID 143533081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).