1-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-ol

C14H25NO — CID 99832320

IUPAC1-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-ol
SMILESCC1=CCC[C@@H](C)[C@H]1CN1CCC(O)CC1
InChIInChI=1S/C14H25NO/c1-11-4-3-5-12(2)14(11)10-15-8-6-13(16)7-9-15/h4,12-14,16H,3,5-10H2,1-2H3/t12-,14+/m1/s1
InChIKeyDXDMRISQCGCOKA-OCCSQVGLSA-N
MW223.36 g/mol
LogP2.44
Rot. Bonds2

About 1-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-ol

1-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-ol (PubChem CID 99832320) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-ol
PubChem CID99832320
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-ol
SMILESCC1=CCC[C@@H](C)[C@H]1CN1CCC(O)CC1
InChIInChI=1S/C14H25NO/c1-11-4-3-5-12(2)14(11)10-15-8-6-13(16)7-9-15/h4,12-14,16H,3,5-10H2,1-2H3/t12-,14+/m1/s1
InChIKeyDXDMRISQCGCOKA-OCCSQVGLSA-N
XLogP2.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.44
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-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-ol (CID 99832320) is 1-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-ol is CC1=CCC[C@@H](C)[C@H]1CN1CCC(O)CC1.
What is the InChIKey of 1-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-ol?
The InChIKey is DXDMRISQCGCOKA-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H25NO/c1-11-4-3-5-12(2)14(11)10-15-8-6-13(16)7-9-15/h4,12-14,16H,3,5-10H2,1-2H3/t12-,14+/m1/s1.
What are the key properties of 1-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-ol?
1-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-ol has a molecular weight of 223.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 99832320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).