2-[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]cyclopentan-1-ol

C17H33NO2 — CID 114340261

IUPAC2-[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]cyclopentan-1-ol
SMILESCC(C)CCOCCN1CCCCC1C1CCCC1O
InChIInChI=1S/C17H33NO2/c1-14(2)9-12-20-13-11-18-10-4-3-7-16(18)15-6-5-8-17(15)19/h14-17,19H,3-13H2,1-2H3
InChIKeyHXZCOVZWTVSIPB-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.06
Rot. Bonds7

About 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]cyclopentan-1-ol

2-[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]cyclopentan-1-ol (PubChem CID 114340261) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]cyclopentan-1-ol
PubChem CID114340261
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]cyclopentan-1-ol
SMILESCC(C)CCOCCN1CCCCC1C1CCCC1O
InChIInChI=1S/C17H33NO2/c1-14(2)9-12-20-13-11-18-10-4-3-7-16(18)15-6-5-8-17(15)19/h14-17,19H,3-13H2,1-2H3
InChIKeyHXZCOVZWTVSIPB-UHFFFAOYSA-N
XLogP3.06
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]cyclopentan-1-ol (CID 114340261) is 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]cyclopentan-1-ol is CC(C)CCOCCN1CCCCC1C1CCCC1O.
What is the InChIKey of 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]cyclopentan-1-ol?
The InChIKey is HXZCOVZWTVSIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-14(2)9-12-20-13-11-18-10-4-3-7-16(18)15-6-5-8-17(15)19/h14-17,19H,3-13H2,1-2H3.
What are the key properties of 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]cyclopentan-1-ol?
2-[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]cyclopentan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 114340261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).