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

C18H33NO2 — CID 64527604

IUPAC2-[4-(2-methylbutan-2-yl)-1-piperidin-1-ylcyclohexyl]acetic acid
SMILESCCC(C)(C)C1CCC(CC(=O)O)(N2CCCCC2)CC1
InChIInChI=1S/C18H33NO2/c1-4-17(2,3)15-8-10-18(11-9-15,14-16(20)21)19-12-6-5-7-13-19/h15H,4-14H2,1-3H3,(H,20,21)
InChIKeySPSQQEACLBQZLH-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.31
Rot. Bonds5

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

2-[4-(2-methylbutan-2-yl)-1-piperidin-1-ylcyclohexyl]acetic acid (PubChem CID 64527604) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[4-(2-methylbutan-2-yl)-1-piperidin-1-ylcyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methylbutan-2-yl)-1-piperidin-1-ylcyclohexyl]acetic acid
PubChem CID64527604
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-[4-(2-methylbutan-2-yl)-1-piperidin-1-ylcyclohexyl]acetic acid
SMILESCCC(C)(C)C1CCC(CC(=O)O)(N2CCCCC2)CC1
InChIInChI=1S/C18H33NO2/c1-4-17(2,3)15-8-10-18(11-9-15,14-16(20)21)19-12-6-5-7-13-19/h15H,4-14H2,1-3H3,(H,20,21)
InChIKeySPSQQEACLBQZLH-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(azepan-1-yl)-4-methylcyclohexyl]acetic acid
CID 64527329
2-[1-(azepan-1-yl)-4-propan-2-ylcyclohexyl]acetic acid
CID 64529282
2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid
CID 83682736
2-(4-tert-butyl-1-morpholin-4-ylcycloheptyl)acetic acid
CID 65094530
2-(3-ethyl-1-piperidin-1-ylcyclohexyl)acetic acid
CID 64526836
2-[1-(3-tert-butylazetidin-1-yl)cyclohexyl]acetic acid
CID 79694488
2-(1-morpholin-4-yl-4-propylcyclohexyl)acetic acid
CID 64529304
2-(3,3,5,5-tetramethyl-1-piperidin-1-ylcyclohexyl)acetic acid
CID 103961374
2-[3-(azepan-1-yl)azetidin-3-yl]acetic acid
CID 107141430
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylazetidin-3-yl]acetic acid
CID 107141436
4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 13150786
2-[1-(4-methylpiperazin-1-yl)cyclopentyl]acetic acid
CID 65422294

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylbutan-2-yl)-1-piperidin-1-ylcyclohexyl]acetic acid?
The IUPAC name of 2-[4-(2-methylbutan-2-yl)-1-piperidin-1-ylcyclohexyl]acetic acid (CID 64527604) is 2-[4-(2-methylbutan-2-yl)-1-piperidin-1-ylcyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-(2-methylbutan-2-yl)-1-piperidin-1-ylcyclohexyl]acetic acid?
The canonical SMILES for 2-[4-(2-methylbutan-2-yl)-1-piperidin-1-ylcyclohexyl]acetic acid is CCC(C)(C)C1CCC(CC(=O)O)(N2CCCCC2)CC1.
What is the InChIKey of 2-[4-(2-methylbutan-2-yl)-1-piperidin-1-ylcyclohexyl]acetic acid?
The InChIKey is SPSQQEACLBQZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-4-17(2,3)15-8-10-18(11-9-15,14-16(20)21)19-12-6-5-7-13-19/h15H,4-14H2,1-3H3,(H,20,21).
What are the key properties of 2-[4-(2-methylbutan-2-yl)-1-piperidin-1-ylcyclohexyl]acetic acid?
2-[4-(2-methylbutan-2-yl)-1-piperidin-1-ylcyclohexyl]acetic acid has a molecular weight of 295.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylbutan-2-yl)-1-piperidin-1-ylcyclohexyl]acetic acid is sourced from PubChem (CID 64527604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).