[cyclohexyl(piperidin-2-yl)methyl] acetate;ethane

C16H31NO2 — CID 155732233

IUPAC[cyclohexyl(piperidin-2-yl)methyl] acetate;ethane
SMILESCC.CC(=O)OC(C1CCCCC1)C1CCCCN1
InChIInChI=1S/C14H25NO2.C2H6/c1-11(16)17-14(12-7-3-2-4-8-12)13-9-5-6-10-15-13;1-2/h12-15H,2-10H2,1H3;1-2H3
InChIKeyYHXXZKQEFWVKQN-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.67
Rot. Bonds3

About [cyclohexyl(piperidin-2-yl)methyl] acetate;ethane

[cyclohexyl(piperidin-2-yl)methyl] acetate;ethane (PubChem CID 155732233) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is [cyclohexyl(piperidin-2-yl)methyl] acetate;ethane.

Molecular Properties

Compound Name[cyclohexyl(piperidin-2-yl)methyl] acetate;ethane
PubChem CID155732233
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name[cyclohexyl(piperidin-2-yl)methyl] acetate;ethane
SMILESCC.CC(=O)OC(C1CCCCC1)C1CCCCN1
InChIInChI=1S/C14H25NO2.C2H6/c1-11(16)17-14(12-7-3-2-4-8-12)13-9-5-6-10-15-13;1-2/h12-15H,2-10H2,1H3;1-2H3
InChIKeyYHXXZKQEFWVKQN-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[cyclohexyl(piperidin-2-yl)methyl] 2-iodopropanoate
CID 134485571
cyclohexyl(pyrrolidin-2-yl)methanol;ethane
CID 142116174
[(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride
CID 71573118
(S)-cyclohexyl-[(2S)-piperidin-2-yl]methanol
CID 102268028
[4-[acetyloxy(piperidin-2-yl)methyl]phenyl] acetate
CID 154219791
1-cyclopentylethyl acetate
CID 12705472
2-acetyloxy-2-cyclohexylacetic acid
CID 14528553
[(4-acetamidophenyl)-piperidin-2-ylmethyl] acetate;hydrochloride
CID 160711504
2-(azocan-2-yl)-1-cyclopropylpropan-1-one
CID 130491233
ethane;2-propan-2-ylpiperidine
CID 154671868
(2R)-2-propan-2-ylazepane
CID 7048221
[[4-[6-[cyclohexyl(2-methylpropanoyloxy)methyl]piperidin-3-yl]phenyl]-piperidin-2-ylmethyl] 2-methylbutanoate
CID 135230487

Frequently Asked Questions

What is the IUPAC name of [cyclohexyl(piperidin-2-yl)methyl] acetate;ethane?
The IUPAC name of [cyclohexyl(piperidin-2-yl)methyl] acetate;ethane (CID 155732233) is [cyclohexyl(piperidin-2-yl)methyl] acetate;ethane.
What is the SMILES notation for [cyclohexyl(piperidin-2-yl)methyl] acetate;ethane?
The canonical SMILES for [cyclohexyl(piperidin-2-yl)methyl] acetate;ethane is CC.CC(=O)OC(C1CCCCC1)C1CCCCN1.
What is the InChIKey of [cyclohexyl(piperidin-2-yl)methyl] acetate;ethane?
The InChIKey is YHXXZKQEFWVKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2.C2H6/c1-11(16)17-14(12-7-3-2-4-8-12)13-9-5-6-10-15-13;1-2/h12-15H,2-10H2,1H3;1-2H3.
What are the key properties of [cyclohexyl(piperidin-2-yl)methyl] acetate;ethane?
[cyclohexyl(piperidin-2-yl)methyl] acetate;ethane has a molecular weight of 269.43 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(piperidin-2-yl)methyl] acetate;ethane is sourced from PubChem (CID 155732233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).