(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-ol

C12H21NO — CID 783068

IUPAC(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(C[C@H]2CC=CCC2)C1
InChIInChI=1S/C12H21NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-2,11-12,14H,3-10H2/t11-,12+/m0/s1
InChIKeyLFAHAZYKDALXSI-NWDGAFQWSA-N
MW195.31 g/mol
LogP1.80
Rot. Bonds2

About (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-ol

(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-ol (PubChem CID 783068) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-ol
PubChem CID783068
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(C[C@H]2CC=CCC2)C1
InChIInChI=1S/C12H21NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-2,11-12,14H,3-10H2/t11-,12+/m0/s1
InChIKeyLFAHAZYKDALXSI-NWDGAFQWSA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.80
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 (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-ol (CID 783068) is (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-ol is O[C@@H]1CCCN(C[C@H]2CC=CCC2)C1.
What is the InChIKey of (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-ol?
The InChIKey is LFAHAZYKDALXSI-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H21NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-2,11-12,14H,3-10H2/t11-,12+/m0/s1.
What are the key properties of (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-ol?
(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-ol has a molecular weight of 195.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 783068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).