2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-3-yl]acetic acid

C17H31NO2 — CID 155068611

IUPAC2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-3-yl]acetic acid
SMILESCC(C)C1CCC(CN2CCCC(CC(=O)O)C2)CC1
InChIInChI=1S/C17H31NO2/c1-13(2)16-7-5-14(6-8-16)11-18-9-3-4-15(12-18)10-17(19)20/h13-16H,3-12H2,1-2H3,(H,19,20)
InChIKeyCPKYLIRPFYDZER-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.64
Rot. Bonds5

About 2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-3-yl]acetic acid

2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-3-yl]acetic acid (PubChem CID 155068611) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-3-yl]acetic acid
PubChem CID155068611
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-3-yl]acetic acid
SMILESCC(C)C1CCC(CN2CCCC(CC(=O)O)C2)CC1
InChIInChI=1S/C17H31NO2/c1-13(2)16-7-5-14(6-8-16)11-18-9-3-4-15(12-18)10-17(19)20/h13-16H,3-12H2,1-2H3,(H,19,20)
InChIKeyCPKYLIRPFYDZER-UHFFFAOYSA-N
XLogP3.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 86324356
2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid
CID 62689073
2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid
CID 103500361
2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid
CID 62690444
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid
CID 62690107
2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]acetic acid
CID 62691306
2-(1-decylpiperidin-3-yl)acetic acid
CID 62689590
2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-3-yl]acetic acid
CID 62689759
2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid
CID 79608698
2-[1-(1-cyclopropylethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691352
2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid
CID 55105432

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-3-yl]acetic acid (CID 155068611) is 2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-3-yl]acetic acid is CC(C)C1CCC(CN2CCCC(CC(=O)O)C2)CC1.
What is the InChIKey of 2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-3-yl]acetic acid?
The InChIKey is CPKYLIRPFYDZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-13(2)16-7-5-14(6-8-16)11-18-9-3-4-15(12-18)10-17(19)20/h13-16H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-3-yl]acetic acid?
2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-3-yl]acetic acid has a molecular weight of 281.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 155068611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).