1-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidin-3-yl]cyclopropan-1-ol

C18H31NO — CID 138383316

IUPAC1-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidin-3-yl]cyclopropan-1-ol
SMILESCC(C)=CCC/C(C)=C/CN1CCCC(C2(O)CC2)C1
InChIInChI=1S/C18H31NO/c1-15(2)6-4-7-16(3)9-13-19-12-5-8-17(14-19)18(20)10-11-18/h6,9,17,20H,4-5,7-8,10-14H2,1-3H3/b16-9+
InChIKeyDPYOJFNTOZNLST-CXUHLZMHSA-N
MW277.45 g/mol
LogP3.92
Rot. Bonds6

About 1-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidin-3-yl]cyclopropan-1-ol

1-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidin-3-yl]cyclopropan-1-ol (PubChem CID 138383316) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidin-3-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidin-3-yl]cyclopropan-1-ol
PubChem CID138383316
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidin-3-yl]cyclopropan-1-ol
SMILESCC(C)=CCC/C(C)=C/CN1CCCC(C2(O)CC2)C1
InChIInChI=1S/C18H31NO/c1-15(2)6-4-7-16(3)9-13-19-12-5-8-17(14-19)18(20)10-11-18/h6,9,17,20H,4-5,7-8,10-14H2,1-3H3/b16-9+
InChIKeyDPYOJFNTOZNLST-CXUHLZMHSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidin-3-yl]cyclopropan-1-ol?
The IUPAC name of 1-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidin-3-yl]cyclopropan-1-ol (CID 138383316) is 1-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidin-3-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidin-3-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidin-3-yl]cyclopropan-1-ol is CC(C)=CCC/C(C)=C/CN1CCCC(C2(O)CC2)C1.
What is the InChIKey of 1-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidin-3-yl]cyclopropan-1-ol?
The InChIKey is DPYOJFNTOZNLST-CXUHLZMHSA-N. The full InChI is InChI=1S/C18H31NO/c1-15(2)6-4-7-16(3)9-13-19-12-5-8-17(14-19)18(20)10-11-18/h6,9,17,20H,4-5,7-8,10-14H2,1-3H3/b16-9+.
What are the key properties of 1-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidin-3-yl]cyclopropan-1-ol?
1-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidin-3-yl]cyclopropan-1-ol has a molecular weight of 277.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidin-3-yl]cyclopropan-1-ol is sourced from PubChem (CID 138383316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).