3-(1-tert-butylpiperidin-4-yl)cyclohexane-1-carboxylic acid

C16H29NO2 — CID 21029384

IUPAC3-(1-tert-butylpiperidin-4-yl)cyclohexane-1-carboxylic acid
SMILESCC(C)(C)N1CCC(C2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C16H29NO2/c1-16(2,3)17-9-7-12(8-10-17)13-5-4-6-14(11-13)15(18)19/h12-14H,4-11H2,1-3H3,(H,18,19)
InChIKeyGTJVKADAEJQWBH-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.39
Rot. Bonds2

About 3-(1-tert-butylpiperidin-4-yl)cyclohexane-1-carboxylic acid

3-(1-tert-butylpiperidin-4-yl)cyclohexane-1-carboxylic acid (PubChem CID 21029384) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 3-(1-tert-butylpiperidin-4-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-tert-butylpiperidin-4-yl)cyclohexane-1-carboxylic acid
PubChem CID21029384
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name3-(1-tert-butylpiperidin-4-yl)cyclohexane-1-carboxylic acid
SMILESCC(C)(C)N1CCC(C2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C16H29NO2/c1-16(2,3)17-9-7-12(8-10-17)13-5-4-6-14(11-13)15(18)19/h12-14H,4-11H2,1-3H3,(H,18,19)
InChIKeyGTJVKADAEJQWBH-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylpiperidin-4-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(1-tert-butylpiperidin-4-yl)cyclohexane-1-carboxylic acid (CID 21029384) is 3-(1-tert-butylpiperidin-4-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(1-tert-butylpiperidin-4-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(1-tert-butylpiperidin-4-yl)cyclohexane-1-carboxylic acid is CC(C)(C)N1CCC(C2CCCC(C(=O)O)C2)CC1.
What is the InChIKey of 3-(1-tert-butylpiperidin-4-yl)cyclohexane-1-carboxylic acid?
The InChIKey is GTJVKADAEJQWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-16(2,3)17-9-7-12(8-10-17)13-5-4-6-14(11-13)15(18)19/h12-14H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 3-(1-tert-butylpiperidin-4-yl)cyclohexane-1-carboxylic acid?
3-(1-tert-butylpiperidin-4-yl)cyclohexane-1-carboxylic acid has a molecular weight of 267.41 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylpiperidin-4-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 21029384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).