6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol

C16H34N2O2 — CID 102968939

IUPAC6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCN1CCCC(OC)C1
InChIInChI=1S/C16H34N2O2/c1-4-10-17-16(2,14-19)9-5-6-11-18-12-7-8-15(13-18)20-3/h15,17,19H,4-14H2,1-3H3
InChIKeyGFZGEQPOTQFGGP-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.02
Rot. Bonds10

About 6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol

6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol (PubChem CID 102968939) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
PubChem CID102968939
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCN1CCCC(OC)C1
InChIInChI=1S/C16H34N2O2/c1-4-10-17-16(2,14-19)9-5-6-11-18-12-7-8-15(13-18)20-3/h15,17,19H,4-14H2,1-3H3
InChIKeyGFZGEQPOTQFGGP-UHFFFAOYSA-N
XLogP2.02
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 102968930
2-(ethylamino)-5-(3-methoxypiperidin-1-yl)-2-methylpentan-1-ol
CID 102968965
6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64795564
6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide
CID 102966457
5-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 102968926
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 79935464
5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 103540839
2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol
CID 64786450
methyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate
CID 102966583
2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol
CID 64798009
2-(cyclopropylamino)-2-ethyl-5-(3-methoxypiperidin-1-yl)pentan-1-ol
CID 106809926
6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64796258

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol?
The IUPAC name of 6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol (CID 102968939) is 6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol.
What is the SMILES notation for 6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol?
The canonical SMILES for 6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol is CCCNC(C)(CO)CCCCN1CCCC(OC)C1.
What is the InChIKey of 6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol?
The InChIKey is GFZGEQPOTQFGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-4-10-17-16(2,14-19)9-5-6-11-18-12-7-8-15(13-18)20-3/h15,17,19H,4-14H2,1-3H3.
What are the key properties of 6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol?
6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol has a molecular weight of 286.46 g/mol, XLogP of 2.02, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol is sourced from PubChem (CID 102968939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).