1-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]piperidin-4-ol

C14H22N2O — CID 123677377

IUPAC1-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]piperidin-4-ol
SMILES[H]/N=C1CCCC=C/C=C\1CN1CCC(O)CC1
InChIInChI=1S/C14H22N2O/c15-14-6-4-2-1-3-5-12(14)11-16-9-7-13(17)8-10-16/h1,3,5,13,15,17H,2,4,6-11H2/b3-1?,12-5-,15-14+
InChIKeyJKJKVFULCVYELY-QDRMXFLASA-N
MW234.34 g/mol
LogP2.13
Rot. Bonds2

About 1-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]piperidin-4-ol

1-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]piperidin-4-ol (PubChem CID 123677377) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]piperidin-4-ol
PubChem CID123677377
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]piperidin-4-ol
SMILES[H]/N=C1CCCC=C/C=C\1CN1CCC(O)CC1
InChIInChI=1S/C14H22N2O/c15-14-6-4-2-1-3-5-12(14)11-16-9-7-13(17)8-10-16/h1,3,5,13,15,17H,2,4,6-11H2/b3-1?,12-5-,15-14+
InChIKeyJKJKVFULCVYELY-QDRMXFLASA-N
XLogP2.13
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]piperidin-4-ol (CID 123677377) is 1-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]piperidin-4-ol is [H]/N=C1CCCC=C/C=C\1CN1CCC(O)CC1.
What is the InChIKey of 1-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]piperidin-4-ol?
The InChIKey is JKJKVFULCVYELY-QDRMXFLASA-N. The full InChI is InChI=1S/C14H22N2O/c15-14-6-4-2-1-3-5-12(14)11-16-9-7-13(17)8-10-16/h1,3,5,13,15,17H,2,4,6-11H2/b3-1?,12-5-,15-14+.
What are the key properties of 1-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]piperidin-4-ol?
1-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]piperidin-4-ol has a molecular weight of 234.34 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 123677377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).