(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-piperidin-1-ylpropanoate;hydrochloride

C18H32ClNO2 — CID 153408941

IUPAC(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-piperidin-1-ylpropanoate;hydrochloride
SMILESCC1(C)C2CCC1(C)C(OC(=O)CCN1CCCCC1)C2.Cl
InChIInChI=1S/C18H31NO2.ClH/c1-17(2)14-7-9-18(17,3)15(13-14)21-16(20)8-12-19-10-5-4-6-11-19;/h14-15H,4-13H2,1-3H3;1H
InChIKeyXPTSIMRWHCGMRT-UHFFFAOYSA-N
MW329.91 g/mol
LogP4.04
Rot. Bonds4

About (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-piperidin-1-ylpropanoate;hydrochloride

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-piperidin-1-ylpropanoate;hydrochloride (PubChem CID 153408941) has the molecular formula C18H32ClNO2 and a molecular weight of 329.91 g/mol. Its IUPAC name is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-piperidin-1-ylpropanoate;hydrochloride.

Molecular Properties

Compound Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-piperidin-1-ylpropanoate;hydrochloride
PubChem CID153408941
Molecular FormulaC18H32ClNO2
Molecular Weight329.91 g/mol
Exact Mass329.21
IUPAC Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-piperidin-1-ylpropanoate;hydrochloride
SMILESCC1(C)C2CCC1(C)C(OC(=O)CCN1CCCCC1)C2.Cl
InChIInChI=1S/C18H31NO2.ClH/c1-17(2)14-7-9-18(17,3)15(13-14)21-16(20)8-12-19-10-5-4-6-11-19;/h14-15H,4-13H2,1-3H3;1H
InChIKeyXPTSIMRWHCGMRT-UHFFFAOYSA-N
XLogP4.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.91
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-(azepan-1-yl)acetate
CID 23328231
bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) hexanedioate
CID 18003095
4-oxo-4-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butanoic acid
CID 67133080
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-methylcyclohexane-1-carboxylate
CID 106827870
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
CID 112723761
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-cycloheptylacetate
CID 114458340
bis[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 9-oxoheptadecanedioate
CID 168962192
[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-chloroacetate
CID 46738620
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-ethoxypropanoate
CID 78925584
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-morpholin-4-ylacetate
CID 4689531
3-oxo-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propanoic acid
CID 917424
[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-acetyl-4-methyl-5-oxohexanoate
CID 174476747

Frequently Asked Questions

What is the IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-piperidin-1-ylpropanoate;hydrochloride?
The IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-piperidin-1-ylpropanoate;hydrochloride (CID 153408941) is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-piperidin-1-ylpropanoate;hydrochloride.
What is the SMILES notation for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-piperidin-1-ylpropanoate;hydrochloride?
The canonical SMILES for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-piperidin-1-ylpropanoate;hydrochloride is CC1(C)C2CCC1(C)C(OC(=O)CCN1CCCCC1)C2.Cl.
What is the InChIKey of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-piperidin-1-ylpropanoate;hydrochloride?
The InChIKey is XPTSIMRWHCGMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2.ClH/c1-17(2)14-7-9-18(17,3)15(13-14)21-16(20)8-12-19-10-5-4-6-11-19;/h14-15H,4-13H2,1-3H3;1H.
What are the key properties of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-piperidin-1-ylpropanoate;hydrochloride?
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-piperidin-1-ylpropanoate;hydrochloride has a molecular weight of 329.91 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-piperidin-1-ylpropanoate;hydrochloride is sourced from PubChem (CID 153408941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).