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

C16H30N2O — CID 55064127

IUPAC2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexan-1-ol
SMILESCC(C)=CCN1CCC(NC2CCCCC2O)CC1
InChIInChI=1S/C16H30N2O/c1-13(2)7-10-18-11-8-14(9-12-18)17-15-5-3-4-6-16(15)19/h7,14-17,19H,3-6,8-12H2,1-2H3
InChIKeySLAVQHZULWHSQK-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.31
Rot. Bonds4

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

2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 55064127) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexan-1-ol
PubChem CID55064127
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexan-1-ol
SMILESCC(C)=CCN1CCC(NC2CCCCC2O)CC1
InChIInChI=1S/C16H30N2O/c1-13(2)7-10-18-11-8-14(9-12-18)17-15-5-3-4-6-16(15)19/h7,14-17,19H,3-6,8-12H2,1-2H3
InChIKeySLAVQHZULWHSQK-UHFFFAOYSA-N
XLogP2.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexan-1-ol (CID 55064127) is 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexan-1-ol is CC(C)=CCN1CCC(NC2CCCCC2O)CC1.
What is the InChIKey of 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is SLAVQHZULWHSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(2)7-10-18-11-8-14(9-12-18)17-15-5-3-4-6-16(15)19/h7,14-17,19H,3-6,8-12H2,1-2H3.
What are the key properties of 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexan-1-ol?
2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 266.43 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 55064127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).