(3E,5Z)-4-methyl-5-(2-methylpiperidin-4-ylidene)penta-1,3-dien-3-ol

C12H19NO — CID 142933374

IUPAC(3E,5Z)-4-methyl-5-(2-methylpiperidin-4-ylidene)penta-1,3-dien-3-ol
SMILESC=C/C(O)=C(C)\C=C1\CCNC(C)C1
InChIInChI=1S/C12H19NO/c1-4-12(14)9(2)7-11-5-6-13-10(3)8-11/h4,7,10,13-14H,1,5-6,8H2,2-3H3/b11-7-,12-9+
InChIKeyCRZDLHFLZWQGSW-VNPQWULESA-N
MW193.29 g/mol
LogP2.70
Rot. Bonds2

About (3E,5Z)-4-methyl-5-(2-methylpiperidin-4-ylidene)penta-1,3-dien-3-ol

(3E,5Z)-4-methyl-5-(2-methylpiperidin-4-ylidene)penta-1,3-dien-3-ol (PubChem CID 142933374) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (3E,5Z)-4-methyl-5-(2-methylpiperidin-4-ylidene)penta-1,3-dien-3-ol.

Molecular Properties

Compound Name(3E,5Z)-4-methyl-5-(2-methylpiperidin-4-ylidene)penta-1,3-dien-3-ol
PubChem CID142933374
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(3E,5Z)-4-methyl-5-(2-methylpiperidin-4-ylidene)penta-1,3-dien-3-ol
SMILESC=C/C(O)=C(C)\C=C1\CCNC(C)C1
InChIInChI=1S/C12H19NO/c1-4-12(14)9(2)7-11-5-6-13-10(3)8-11/h4,7,10,13-14H,1,5-6,8H2,2-3H3/b11-7-,12-9+
InChIKeyCRZDLHFLZWQGSW-VNPQWULESA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (2E)-2-(2-methylpiperidin-4-ylidene)acetate
CID 177162204
2-methyl-4-methylidenepiperidine
CID 75088783
2-(4-methylcyclohexylidene)acetic acid
CID 4169398
(2E)-2-(3-methylcyclohexylidene)acetic acid
CID 12956868
3-(2-methylprop-2-enylidene)-8-azabicyclo[3.2.1]octane
CID 130531791
4-methyloxetan-2-one;prop-2-enoic acid
CID 174538914
2-(3,5-dimethylcyclohexylidene)acetic acid
CID 64753598
2-methylprop-2-enoic acid;5-methylpyrrolidin-2-one
CID 69307540
2-(4-methylcycloheptylidene)acetic acid
CID 77055377
(2E)-2-(4-methylcycloheptylidene)acetic acid
CID 65081122
2,5-dimethyl-4-[(2E)-3-methylpenta-2,4-dienyl]piperidine
CID 143773329
(2R)-2,4-dimethyl-1,4-diazepan-5-one
CID 129371680

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-methyl-5-(2-methylpiperidin-4-ylidene)penta-1,3-dien-3-ol?
The IUPAC name of (3E,5Z)-4-methyl-5-(2-methylpiperidin-4-ylidene)penta-1,3-dien-3-ol (CID 142933374) is (3E,5Z)-4-methyl-5-(2-methylpiperidin-4-ylidene)penta-1,3-dien-3-ol.
What is the SMILES notation for (3E,5Z)-4-methyl-5-(2-methylpiperidin-4-ylidene)penta-1,3-dien-3-ol?
The canonical SMILES for (3E,5Z)-4-methyl-5-(2-methylpiperidin-4-ylidene)penta-1,3-dien-3-ol is C=C/C(O)=C(C)\C=C1\CCNC(C)C1.
What is the InChIKey of (3E,5Z)-4-methyl-5-(2-methylpiperidin-4-ylidene)penta-1,3-dien-3-ol?
The InChIKey is CRZDLHFLZWQGSW-VNPQWULESA-N. The full InChI is InChI=1S/C12H19NO/c1-4-12(14)9(2)7-11-5-6-13-10(3)8-11/h4,7,10,13-14H,1,5-6,8H2,2-3H3/b11-7-,12-9+.
What are the key properties of (3E,5Z)-4-methyl-5-(2-methylpiperidin-4-ylidene)penta-1,3-dien-3-ol?
(3E,5Z)-4-methyl-5-(2-methylpiperidin-4-ylidene)penta-1,3-dien-3-ol has a molecular weight of 193.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-methyl-5-(2-methylpiperidin-4-ylidene)penta-1,3-dien-3-ol is sourced from PubChem (CID 142933374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).