2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclopentan-1-ol

C15H27NO — CID 114340127

IUPAC2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclopentan-1-ol
SMILESC=C(CC)CN1CCCCC1C1CCCC1O
InChIInChI=1S/C15H27NO/c1-3-12(2)11-16-10-5-4-8-14(16)13-7-6-9-15(13)17/h13-15,17H,2-11H2,1H3
InChIKeyUTAZUIGWUJXEAH-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.97
Rot. Bonds4

About 2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclopentan-1-ol

2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclopentan-1-ol (PubChem CID 114340127) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclopentan-1-ol
PubChem CID114340127
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclopentan-1-ol
SMILESC=C(CC)CN1CCCCC1C1CCCC1O
InChIInChI=1S/C15H27NO/c1-3-12(2)11-16-10-5-4-8-14(16)13-7-6-9-15(13)17/h13-15,17H,2-11H2,1H3
InChIKeyUTAZUIGWUJXEAH-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-methylidenebutyl)piperidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclopentan-1-ol (CID 114340127) is 2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclopentan-1-ol is C=C(CC)CN1CCCCC1C1CCCC1O.
What is the InChIKey of 2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclopentan-1-ol?
The InChIKey is UTAZUIGWUJXEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-12(2)11-16-10-5-4-8-14(16)13-7-6-9-15(13)17/h13-15,17H,2-11H2,1H3.
What are the key properties of 2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclopentan-1-ol?
2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclopentan-1-ol has a molecular weight of 237.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 114340127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).