6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol

C16H32N2O — CID 103922270

IUPAC6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol
SMILESCC(C)=CCN1CCC(NCCCCCCO)CC1
InChIInChI=1S/C16H32N2O/c1-15(2)7-11-18-12-8-16(9-13-18)17-10-5-3-4-6-14-19/h7,16-17,19H,3-6,8-14H2,1-2H3
InChIKeyAQYZTKJJZPGYOQ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.56
Rot. Bonds9

About 6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol

6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol (PubChem CID 103922270) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol
PubChem CID103922270
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol
SMILESCC(C)=CCN1CCC(NCCCCCCO)CC1
InChIInChI=1S/C16H32N2O/c1-15(2)7-11-18-12-8-16(9-13-18)17-10-5-3-4-6-14-19/h7,16-17,19H,3-6,8-14H2,1-2H3
InChIKeyAQYZTKJJZPGYOQ-UHFFFAOYSA-N
XLogP2.56
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.56
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'}

Analyze 6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol with MolForge

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Related Compounds

1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine
CID 115566614
N-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 103779857
1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 81343467
6-[(1-methylpiperidin-4-yl)amino]hexan-1-ol
CID 115906765
N-ethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43755150
4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
CID 64911106
methyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate
CID 43774735
1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 43764214
1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine
CID 43755403
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propane-1,2-diol
CID 66177156
2,2-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
CID 113463353
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43768079

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol?
The IUPAC name of 6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol (CID 103922270) is 6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol?
The canonical SMILES for 6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol is CC(C)=CCN1CCC(NCCCCCCO)CC1.
What is the InChIKey of 6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol?
The InChIKey is AQYZTKJJZPGYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15(2)7-11-18-12-8-16(9-13-18)17-10-5-3-4-6-14-19/h7,16-17,19H,3-6,8-14H2,1-2H3.
What are the key properties of 6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol?
6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol is sourced from PubChem (CID 103922270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).