ethane;1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-ol

C15H31NO — CID 143049084

IUPACethane;1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-ol
SMILESC=C(/C=C\C)C1(O)CCN(C)CC1.CC.CC
InChIInChI=1S/C11H19NO.2C2H6/c1-4-5-10(2)11(13)6-8-12(3)9-7-11;2*1-2/h4-5,13H,2,6-9H2,1,3H3;2*1-2H3/b5-4-;;
InChIKeyAENOYZSNKFSVCZ-WNCVTPEDSA-N
MW241.42 g/mol
LogP3.63
Rot. Bonds2

About ethane;1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-ol

ethane;1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-ol (PubChem CID 143049084) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is ethane;1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-ol.

Molecular Properties

Compound Nameethane;1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-ol
PubChem CID143049084
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Nameethane;1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-ol
SMILESC=C(/C=C\C)C1(O)CCN(C)CC1.CC.CC
InChIInChI=1S/C11H19NO.2C2H6/c1-4-5-10(2)11(13)6-8-12(3)9-7-11;2*1-2/h4-5,13H,2,6-9H2,1,3H3;2*1-2H3/b5-4-;;
InChIKeyAENOYZSNKFSVCZ-WNCVTPEDSA-N
XLogP3.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.63
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

4-[(Z)-3-hydroxy-3-methylbut-1-enyl]-1-methylpiperidin-4-ol;hydrochloride
CID 12283011
4-(3-Hydroxy-3-methyl-1-butenyl)-1-methyl-4-piperidinol
CID 12283012
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
1-methyl-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol
CID 146582433
1-Butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol
CID 162581636
(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-Ethenyl-1-ethylpiperidin-4-ol
CID 57602877
4-Cyclohepta-1,3,6-trien-1-yl-1-methylpiperidin-4-ol
CID 58361231

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-ol?
The IUPAC name of ethane;1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-ol (CID 143049084) is ethane;1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-ol.
What is the SMILES notation for ethane;1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-ol?
The canonical SMILES for ethane;1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-ol is C=C(/C=C\C)C1(O)CCN(C)CC1.CC.CC.
What is the InChIKey of ethane;1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-ol?
The InChIKey is AENOYZSNKFSVCZ-WNCVTPEDSA-N. The full InChI is InChI=1S/C11H19NO.2C2H6/c1-4-5-10(2)11(13)6-8-12(3)9-7-11;2*1-2/h4-5,13H,2,6-9H2,1,3H3;2*1-2H3/b5-4-;;.
What are the key properties of ethane;1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-ol?
ethane;1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-ol has a molecular weight of 241.42 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-ol is sourced from PubChem (CID 143049084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).