2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol

C15H26ClNO — CID 106440952

IUPAC2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol
SMILESCC(=CCl)CN1CCCCC1C1CCCCC1O
InChIInChI=1S/C15H26ClNO/c1-12(10-16)11-17-9-5-4-7-14(17)13-6-2-3-8-15(13)18/h10,13-15,18H,2-9,11H2,1H3
InChIKeyDXZMMNFCGQHGCK-UHFFFAOYSA-N
MW271.83 g/mol
LogP3.53
Rot. Bonds3

About 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol

2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol (PubChem CID 106440952) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol
PubChem CID106440952
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC Name2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol
SMILESCC(=CCl)CN1CCCCC1C1CCCCC1O
InChIInChI=1S/C15H26ClNO/c1-12(10-16)11-17-9-5-4-7-14(17)13-6-2-3-8-15(13)18/h10,13-15,18H,2-9,11H2,1H3
InChIKeyDXZMMNFCGQHGCK-UHFFFAOYSA-N
XLogP3.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol (CID 106440952) is 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol is CC(=CCl)CN1CCCCC1C1CCCCC1O.
What is the InChIKey of 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol?
The InChIKey is DXZMMNFCGQHGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO/c1-12(10-16)11-17-9-5-4-7-14(17)13-6-2-3-8-15(13)18/h10,13-15,18H,2-9,11H2,1H3.
What are the key properties of 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol?
2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol has a molecular weight of 271.83 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 106440952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).