3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid

C16H29NO2 — CID 65062735

IUPAC3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid
SMILESCC(C1CCCCC1)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C16H29NO2/c1-13(15-5-3-2-4-6-15)17-11-9-14(10-12-17)7-8-16(18)19/h13-15H,2-12H2,1H3,(H,18,19)
InChIKeyBHSSLDRCBQUWGW-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.53
Rot. Bonds5

About 3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid

3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid (PubChem CID 65062735) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid
PubChem CID65062735
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid
SMILESCC(C1CCCCC1)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C16H29NO2/c1-13(15-5-3-2-4-6-15)17-11-9-14(10-12-17)7-8-16(18)19/h13-15H,2-12H2,1H3,(H,18,19)
InChIKeyBHSSLDRCBQUWGW-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(1-cyclopropylethyl)piperidin-3-yl]propanoic acid
CID 65071823
3-[1-(1-chloroethyl)piperidin-4-yl]propanoic acid
CID 89105983
1-(1-cyclopentylethyl)piperidine-4-carboxylic acid
CID 65056131
3-[1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid
CID 62216175
3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid
CID 62217499
3-cyclohexylpropanoic acid;ethane;propane
CID 169257090
3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid
CID 65059979
3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid
CID 62627528
2-[4-(1-cyclopentylethyl)-1,4-diazepan-1-yl]acetic acid
CID 65061835
3-[1-(2-cyclohexylacetyl)piperidin-4-yl]propanoic acid
CID 62217126
3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid
CID 62216173
calcium;3-cyclopentylpropanoic acid;hydride
CID 173013179

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid (CID 65062735) is 3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid is CC(C1CCCCC1)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid?
The InChIKey is BHSSLDRCBQUWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-13(15-5-3-2-4-6-15)17-11-9-14(10-12-17)7-8-16(18)19/h13-15H,2-12H2,1H3,(H,18,19).
What are the key properties of 3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid?
3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid has a molecular weight of 267.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 65062735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).