2-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-3-yl]acetic acid

C18H33NO2 — CID 65059993

IUPAC2-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-3-yl]acetic acid
SMILESCCC(C)(C)C1CCC(N2CCCC(CC(=O)O)C2)CC1
InChIInChI=1S/C18H33NO2/c1-4-18(2,3)15-7-9-16(10-8-15)19-11-5-6-14(13-19)12-17(20)21/h14-16H,4-13H2,1-3H3,(H,20,21)
InChIKeyCCXLBSKINYWPOV-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.17
Rot. Bonds5

About 2-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-3-yl]acetic acid

2-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-3-yl]acetic acid (PubChem CID 65059993) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-3-yl]acetic acid
PubChem CID65059993
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-3-yl]acetic acid
SMILESCCC(C)(C)C1CCC(N2CCCC(CC(=O)O)C2)CC1
InChIInChI=1S/C18H33NO2/c1-4-18(2,3)15-7-9-16(10-8-15)19-11-5-6-14(13-19)12-17(20)21/h14-16H,4-13H2,1-3H3,(H,20,21)
InChIKeyCCXLBSKINYWPOV-UHFFFAOYSA-N
XLogP4.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-cycloheptylpiperidin-3-yl)acetic acid
CID 65060458
6-(2-methylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 170226749
2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid
CID 65072818
2-(1-cyclopropylpiperidin-3-yl)acetamide
CID 175926239
2-[1-(thiolan-3-yl)piperidin-3-yl]acetic acid
CID 65060102
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-[1-(4-methylcyclohexyl)azetidin-3-yl]acetic acid
CID 64747382
3-[1-(4-ethylcyclohexyl)piperidin-3-yl]propanoic acid
CID 64749138
1-cyclopropyl-3-ethylpiperidine
CID 76560892
2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid
CID 65060205
2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid
CID 106814208
2-[1-(2-oxoazepan-4-yl)piperidin-3-yl]acetic acid
CID 63888494

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-3-yl]acetic acid (CID 65059993) is 2-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-3-yl]acetic acid is CCC(C)(C)C1CCC(N2CCCC(CC(=O)O)C2)CC1.
What is the InChIKey of 2-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-3-yl]acetic acid?
The InChIKey is CCXLBSKINYWPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-4-18(2,3)15-7-9-16(10-8-15)19-11-5-6-14(13-19)12-17(20)21/h14-16H,4-13H2,1-3H3,(H,20,21).
What are the key properties of 2-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-3-yl]acetic acid?
2-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-3-yl]acetic acid has a molecular weight of 295.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 65059993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).