4-(cycloocten-1-yl)-1-propan-2-ylpiperidin-4-ol

C16H29NO — CID 106650853

IUPAC4-(cycloocten-1-yl)-1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(O)(C2=CCCCCCC2)CC1
InChIInChI=1S/C16H29NO/c1-14(2)17-12-10-16(18,11-13-17)15-8-6-4-3-5-7-9-15/h8,14,18H,3-7,9-13H2,1-2H3
InChIKeyPDYNAHRVTVAKMK-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.50
Rot. Bonds2

About 4-(cycloocten-1-yl)-1-propan-2-ylpiperidin-4-ol

4-(cycloocten-1-yl)-1-propan-2-ylpiperidin-4-ol (PubChem CID 106650853) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 4-(cycloocten-1-yl)-1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-(cycloocten-1-yl)-1-propan-2-ylpiperidin-4-ol
PubChem CID106650853
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name4-(cycloocten-1-yl)-1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(O)(C2=CCCCCCC2)CC1
InChIInChI=1S/C16H29NO/c1-14(2)17-12-10-16(18,11-13-17)15-8-6-4-3-5-7-9-15/h8,14,18H,3-7,9-13H2,1-2H3
InChIKeyPDYNAHRVTVAKMK-UHFFFAOYSA-N
XLogP3.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.50
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

1,1-Di(cyclohexen-1-yl)-2-(dimethylamino)propan-1-ol
CID 19608986
(Dimethylaminoethyl)bis(1-cyclohexenyl)-methanol
CID 54563448
1,2-Dimethyl-4-(2-methylprop-1-enyl)piperidin-4-ol
CID 81611309
7-(2-methylprop-1-enyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 81611936
1-(2-methylprop-1-enyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 81886676
2-[(1R,6R)-9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl]propan-2-ol
CID 101613769
4-(Cycloocten-1-yl)-1-methylpiperidin-4-ol
CID 106650845
4-(Cyclohexen-1-yl)-1-methylpiperidin-4-ol
CID 106650846
4-(Cyclohepten-1-yl)-1-methylpiperidin-4-ol
CID 106650847
4-(Cycloocten-1-yl)-1-ethylpiperidin-4-ol
CID 106650848
4-(Cyclohexen-1-yl)-1-ethylpiperidin-4-ol
CID 106650849
4-(Cyclohepten-1-yl)-1-ethylpiperidin-4-ol
CID 106650850

Frequently Asked Questions

What is the IUPAC name of 4-(cycloocten-1-yl)-1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 4-(cycloocten-1-yl)-1-propan-2-ylpiperidin-4-ol (CID 106650853) is 4-(cycloocten-1-yl)-1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 4-(cycloocten-1-yl)-1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 4-(cycloocten-1-yl)-1-propan-2-ylpiperidin-4-ol is CC(C)N1CCC(O)(C2=CCCCCCC2)CC1.
What is the InChIKey of 4-(cycloocten-1-yl)-1-propan-2-ylpiperidin-4-ol?
The InChIKey is PDYNAHRVTVAKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-14(2)17-12-10-16(18,11-13-17)15-8-6-4-3-5-7-9-15/h8,14,18H,3-7,9-13H2,1-2H3.
What are the key properties of 4-(cycloocten-1-yl)-1-propan-2-ylpiperidin-4-ol?
4-(cycloocten-1-yl)-1-propan-2-ylpiperidin-4-ol has a molecular weight of 251.41 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloocten-1-yl)-1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 106650853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).