(2R,4S)-2-cyclopropyl-1-(3,7-dimethylocta-2,6-dienyl)piperidin-4-ol

C18H31NO — CID 171145709

IUPAC(2R,4S)-2-cyclopropyl-1-(3,7-dimethylocta-2,6-dienyl)piperidin-4-ol
SMILESCC(C)=CCCC(C)=CCN1CC[C@H](O)C[C@@H]1C1CC1
InChIInChI=1S/C18H31NO/c1-14(2)5-4-6-15(3)9-11-19-12-10-17(20)13-18(19)16-7-8-16/h5,9,16-18,20H,4,6-8,10-13H2,1-3H3/t17-,18+/m0/s1
InChIKeyVGPPLXCLZCPCGU-ZWKOTPCHSA-N
MW277.45 g/mol
LogP3.91
Rot. Bonds6

About (2R,4S)-2-cyclopropyl-1-(3,7-dimethylocta-2,6-dienyl)piperidin-4-ol

(2R,4S)-2-cyclopropyl-1-(3,7-dimethylocta-2,6-dienyl)piperidin-4-ol (PubChem CID 171145709) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is (2R,4S)-2-cyclopropyl-1-(3,7-dimethylocta-2,6-dienyl)piperidin-4-ol.

Molecular Properties

Compound Name(2R,4S)-2-cyclopropyl-1-(3,7-dimethylocta-2,6-dienyl)piperidin-4-ol
PubChem CID171145709
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name(2R,4S)-2-cyclopropyl-1-(3,7-dimethylocta-2,6-dienyl)piperidin-4-ol
SMILESCC(C)=CCCC(C)=CCN1CC[C@H](O)C[C@@H]1C1CC1
InChIInChI=1S/C18H31NO/c1-14(2)5-4-6-15(3)9-11-19-12-10-17(20)13-18(19)16-7-8-16/h5,9,16-18,20H,4,6-8,10-13H2,1-3H3/t17-,18+/m0/s1
InChIKeyVGPPLXCLZCPCGU-ZWKOTPCHSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(6-cyclopropyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol
CID 23748023
(2S,4S)-1,3,3-trimethyl-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]piperidin-4-ol
CID 10387953
(6R,Z)-6-Methyl-7-((8R,8aS)-8-methylhexahydroindolizin-6(5H)-ylidene)heptan-2-ol
CID 91721043
2-[2-(1,2,3,4,5,8-Hexahydro-3-hydroxynaphthalenyl)ethyl]-1-methylpiperidine
CID 20387388
2-(Hydroxymethyl)-1-[6-(4-methylcyclopenten-1-yl)hexyl]piperidin-4-ol
CID 143567049
(4-Methylcyclohex-3-en-1-yl)-(1-methylpiperidin-4-yl)methanol
CID 163485702
(2S,4S)-1,1,3,3-tetramethyl-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]piperidin-1-ium-4-ol iodide
CID 10053781
(2S,4S)-1,1,3,3-tetramethyl-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]piperidin-1-ium-4-ol
CID 10053782
(2S,4S)-1,1-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]piperidin-1-ium-4-ol
CID 15748169
(2S,4S)-1,1-dimethyl-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]piperidin-1-ium-4-ol
CID 15748171
2-(1-Cyclohex-2-en-1-ylpiperidin-2-yl)cyclopentan-1-ol
CID 113609127
2-(1-Cyclohex-2-en-1-ylpiperidin-2-yl)cyclohexan-1-ol
CID 114620909

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-cyclopropyl-1-(3,7-dimethylocta-2,6-dienyl)piperidin-4-ol?
The IUPAC name of (2R,4S)-2-cyclopropyl-1-(3,7-dimethylocta-2,6-dienyl)piperidin-4-ol (CID 171145709) is (2R,4S)-2-cyclopropyl-1-(3,7-dimethylocta-2,6-dienyl)piperidin-4-ol.
What is the SMILES notation for (2R,4S)-2-cyclopropyl-1-(3,7-dimethylocta-2,6-dienyl)piperidin-4-ol?
The canonical SMILES for (2R,4S)-2-cyclopropyl-1-(3,7-dimethylocta-2,6-dienyl)piperidin-4-ol is CC(C)=CCCC(C)=CCN1CC[C@H](O)C[C@@H]1C1CC1.
What is the InChIKey of (2R,4S)-2-cyclopropyl-1-(3,7-dimethylocta-2,6-dienyl)piperidin-4-ol?
The InChIKey is VGPPLXCLZCPCGU-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H31NO/c1-14(2)5-4-6-15(3)9-11-19-12-10-17(20)13-18(19)16-7-8-16/h5,9,16-18,20H,4,6-8,10-13H2,1-3H3/t17-,18+/m0/s1.
What are the key properties of (2R,4S)-2-cyclopropyl-1-(3,7-dimethylocta-2,6-dienyl)piperidin-4-ol?
(2R,4S)-2-cyclopropyl-1-(3,7-dimethylocta-2,6-dienyl)piperidin-4-ol has a molecular weight of 277.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-cyclopropyl-1-(3,7-dimethylocta-2,6-dienyl)piperidin-4-ol is sourced from PubChem (CID 171145709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).