2-(hydroxymethyl)-1-[6-(4-methylcyclopenten-1-yl)hexyl]piperidin-4-ol

C18H33NO2 — CID 143567049

IUPAC2-(hydroxymethyl)-1-[6-(4-methylcyclopenten-1-yl)hexyl]piperidin-4-ol
SMILESCC1CC=C(CCCCCCN2CCC(O)CC2CO)C1
InChIInChI=1S/C18H33NO2/c1-15-7-8-16(12-15)6-4-2-3-5-10-19-11-9-18(21)13-17(19)14-20/h8,15,17-18,20-21H,2-7,9-14H2,1H3
InChIKeyRWNVVWYLKOCIHC-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.11
Rot. Bonds8

About 2-(hydroxymethyl)-1-[6-(4-methylcyclopenten-1-yl)hexyl]piperidin-4-ol

2-(hydroxymethyl)-1-[6-(4-methylcyclopenten-1-yl)hexyl]piperidin-4-ol (PubChem CID 143567049) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-[6-(4-methylcyclopenten-1-yl)hexyl]piperidin-4-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-[6-(4-methylcyclopenten-1-yl)hexyl]piperidin-4-ol
PubChem CID143567049
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-(hydroxymethyl)-1-[6-(4-methylcyclopenten-1-yl)hexyl]piperidin-4-ol
SMILESCC1CC=C(CCCCCCN2CCC(O)CC2CO)C1
InChIInChI=1S/C18H33NO2/c1-15-7-8-16(12-15)6-4-2-3-5-10-19-11-9-18(21)13-17(19)14-20/h8,15,17-18,20-21H,2-7,9-14H2,1H3
InChIKeyRWNVVWYLKOCIHC-UHFFFAOYSA-N
XLogP3.11
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R,6S)-2-(cyclohexen-1-yl)-6-(hydroxymethyl)-1-methylpiperidin-4-ol
CID 135075681
(2S,4S)-1,3,3-trimethyl-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]piperidin-4-ol
CID 10387953
2-(Hydroxymethyl)-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol
CID 157039573
(2R,10Z,13Z)-1-[3-butylnonyl(3-hydroxypropyl)amino]nonadeca-10,13-dien-2-ol
CID 168257368
(2S,10Z,13Z)-1-[[(2R)-3-butyl-2-hydroxynonyl]-(3-hydroxypropyl)amino]nonadeca-10,13-dien-2-ol
CID 169822422
(10Z,13Z)-1-[3-butylnonyl(3-hydroxypropyl)amino]nonadeca-10,13-dien-2-ol
CID 170645822
(2S,4S)-1,1,3,3-tetramethyl-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]piperidin-1-ium-4-ol iodide
CID 10053781
(2S,4S)-1,1,3,3-tetramethyl-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]piperidin-1-ium-4-ol
CID 10053782
(2S,4S)-1,1-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]piperidin-1-ium-4-ol
CID 15748169
1-[1-(Cyclohex-3-en-1-ylmethyl)piperidin-2-yl]ethanol
CID 109931701
rel-(2R,4S)-2-cyclopropyl-1-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-4-piperidinol
CID 137338862
(2R,4S)-2-cyclopropyl-1-(3,7-dimethylocta-2,6-dienyl)piperidin-4-ol
CID 171145709

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-[6-(4-methylcyclopenten-1-yl)hexyl]piperidin-4-ol?
The IUPAC name of 2-(hydroxymethyl)-1-[6-(4-methylcyclopenten-1-yl)hexyl]piperidin-4-ol (CID 143567049) is 2-(hydroxymethyl)-1-[6-(4-methylcyclopenten-1-yl)hexyl]piperidin-4-ol.
What is the SMILES notation for 2-(hydroxymethyl)-1-[6-(4-methylcyclopenten-1-yl)hexyl]piperidin-4-ol?
The canonical SMILES for 2-(hydroxymethyl)-1-[6-(4-methylcyclopenten-1-yl)hexyl]piperidin-4-ol is CC1CC=C(CCCCCCN2CCC(O)CC2CO)C1.
What is the InChIKey of 2-(hydroxymethyl)-1-[6-(4-methylcyclopenten-1-yl)hexyl]piperidin-4-ol?
The InChIKey is RWNVVWYLKOCIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-15-7-8-16(12-15)6-4-2-3-5-10-19-11-9-18(21)13-17(19)14-20/h8,15,17-18,20-21H,2-7,9-14H2,1H3.
What are the key properties of 2-(hydroxymethyl)-1-[6-(4-methylcyclopenten-1-yl)hexyl]piperidin-4-ol?
2-(hydroxymethyl)-1-[6-(4-methylcyclopenten-1-yl)hexyl]piperidin-4-ol has a molecular weight of 295.47 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-[6-(4-methylcyclopenten-1-yl)hexyl]piperidin-4-ol is sourced from PubChem (CID 143567049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).