(2S)-4-[(3Z,5E)-deca-3,5-dien-8-yn-5-yl]-2-methyl-1-prop-2-enylpiperidin-4-ol

C19H29NO — CID 168912848

IUPAC(2S)-4-[(3Z,5E)-deca-3,5-dien-8-yn-5-yl]-2-methyl-1-prop-2-enylpiperidin-4-ol
SMILESC=CCN1CCC(O)(C(/C=C\CC)=C/CC#CC)C[C@@H]1C
InChIInChI=1S/C19H29NO/c1-5-8-10-12-18(11-9-6-2)19(21)13-15-20(14-7-3)17(4)16-19/h7,9,11-12,17,21H,3,6,10,13-16H2,1-2,4H3/b11-9-,18-12+/t17-,19?/m0/s1
InChIKeySKDVTMXILBXHDR-UYSKIAKBSA-N
MW287.45 g/mol
LogP3.69
Rot. Bonds6

About (2S)-4-[(3Z,5E)-deca-3,5-dien-8-yn-5-yl]-2-methyl-1-prop-2-enylpiperidin-4-ol

(2S)-4-[(3Z,5E)-deca-3,5-dien-8-yn-5-yl]-2-methyl-1-prop-2-enylpiperidin-4-ol (PubChem CID 168912848) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (2S)-4-[(3Z,5E)-deca-3,5-dien-8-yn-5-yl]-2-methyl-1-prop-2-enylpiperidin-4-ol.

Molecular Properties

Compound Name(2S)-4-[(3Z,5E)-deca-3,5-dien-8-yn-5-yl]-2-methyl-1-prop-2-enylpiperidin-4-ol
PubChem CID168912848
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(2S)-4-[(3Z,5E)-deca-3,5-dien-8-yn-5-yl]-2-methyl-1-prop-2-enylpiperidin-4-ol
SMILESC=CCN1CCC(O)(C(/C=C\CC)=C/CC#CC)C[C@@H]1C
InChIInChI=1S/C19H29NO/c1-5-8-10-12-18(11-9-6-2)19(21)13-15-20(14-7-3)17(4)16-19/h7,9,11-12,17,21H,3,6,10,13-16H2,1-2,4H3/b11-9-,18-12+/t17-,19?/m0/s1
InChIKeySKDVTMXILBXHDR-UYSKIAKBSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Cyclohepta-1,4-dien-1-yl-1-hexa-1,3-dien-3-ylpiperidin-4-ol
CID 90902227
2,4-Dimethyl-4-piperidin-1-yl-1-propylcyclohexa-2,5-dien-1-ol
CID 91245022
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol
CID 134365800
5-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]-1-propylcyclohexa-2,4-dien-1-ol
CID 139836605
ethane;4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
CID 141848831
ethane;4-[(3E,5Z)-hepta-3,5-dien-3-yl]-1-methylpiperidin-4-ol
CID 141949905
4-Cyclohepta-1,3,5-trien-1-yl-1-methylpiperidin-4-ol
CID 142096230
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-ol
CID 142097570
ethane;4-[(3E)-hexa-1,3-dien-3-yl]-1-methylpiperidin-4-ol
CID 142138355
ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylpiperidin-4-ol
CID 143617059
1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-ol
CID 143658534
4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-methylpiperidin-4-ol
CID 144145006

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(3Z,5E)-deca-3,5-dien-8-yn-5-yl]-2-methyl-1-prop-2-enylpiperidin-4-ol?
The IUPAC name of (2S)-4-[(3Z,5E)-deca-3,5-dien-8-yn-5-yl]-2-methyl-1-prop-2-enylpiperidin-4-ol (CID 168912848) is (2S)-4-[(3Z,5E)-deca-3,5-dien-8-yn-5-yl]-2-methyl-1-prop-2-enylpiperidin-4-ol.
What is the SMILES notation for (2S)-4-[(3Z,5E)-deca-3,5-dien-8-yn-5-yl]-2-methyl-1-prop-2-enylpiperidin-4-ol?
The canonical SMILES for (2S)-4-[(3Z,5E)-deca-3,5-dien-8-yn-5-yl]-2-methyl-1-prop-2-enylpiperidin-4-ol is C=CCN1CCC(O)(C(/C=C\CC)=C/CC#CC)C[C@@H]1C.
What is the InChIKey of (2S)-4-[(3Z,5E)-deca-3,5-dien-8-yn-5-yl]-2-methyl-1-prop-2-enylpiperidin-4-ol?
The InChIKey is SKDVTMXILBXHDR-UYSKIAKBSA-N. The full InChI is InChI=1S/C19H29NO/c1-5-8-10-12-18(11-9-6-2)19(21)13-15-20(14-7-3)17(4)16-19/h7,9,11-12,17,21H,3,6,10,13-16H2,1-2,4H3/b11-9-,18-12+/t17-,19?/m0/s1.
What are the key properties of (2S)-4-[(3Z,5E)-deca-3,5-dien-8-yn-5-yl]-2-methyl-1-prop-2-enylpiperidin-4-ol?
(2S)-4-[(3Z,5E)-deca-3,5-dien-8-yn-5-yl]-2-methyl-1-prop-2-enylpiperidin-4-ol has a molecular weight of 287.45 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(3Z,5E)-deca-3,5-dien-8-yn-5-yl]-2-methyl-1-prop-2-enylpiperidin-4-ol is sourced from PubChem (CID 168912848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).