1-(3,7-dimethyloctyl)piperidine-2-carboxylic acid

C16H31NO2 — CID 169208784

IUPAC1-(3,7-dimethyloctyl)piperidine-2-carboxylic acid
SMILESCC(C)CCCC(C)CCN1CCCCC1C(=O)O
InChIInChI=1S/C16H31NO2/c1-13(2)7-6-8-14(3)10-12-17-11-5-4-9-15(17)16(18)19/h13-15H,4-12H2,1-3H3,(H,18,19)
InChIKeyRCDBGGNCAHORDM-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.78
Rot. Bonds8

About 1-(3,7-dimethyloctyl)piperidine-2-carboxylic acid

1-(3,7-dimethyloctyl)piperidine-2-carboxylic acid (PubChem CID 169208784) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(3,7-dimethyloctyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3,7-dimethyloctyl)piperidine-2-carboxylic acid
PubChem CID169208784
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-(3,7-dimethyloctyl)piperidine-2-carboxylic acid
SMILESCC(C)CCCC(C)CCN1CCCCC1C(=O)O
InChIInChI=1S/C16H31NO2/c1-13(2)7-6-8-14(3)10-12-17-11-5-4-9-15(17)16(18)19/h13-15H,4-12H2,1-3H3,(H,18,19)
InChIKeyRCDBGGNCAHORDM-UHFFFAOYSA-N
XLogP3.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid
CID 28819351
(2R)-1-butylpiperidine-2-carboxylic acid
CID 40787093
1-(3-phenylbutyl)piperidine-2-carboxylic acid
CID 65054037
1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441174
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
1-(6-hydroxyhexyl)piperidine-2-carboxylic acid
CID 104540976
1-(4-hydroxybutyl)azepane-2-carboxylic acid
CID 64563148
(2S)-1-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-2-carboxylic acid
CID 122038699
1-[2-(2-methylpropoxy)-2-oxoethyl]piperidine-2-carboxylic acid
CID 82223992
1-(4,4-dimethylpentyl)azocane-2-carboxylic acid
CID 114239890
(2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane
CID 160932725
1-(2-aminoethyl)pyrrolidine-2-carboxylic acid
CID 63653380

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethyloctyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(3,7-dimethyloctyl)piperidine-2-carboxylic acid (CID 169208784) is 1-(3,7-dimethyloctyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3,7-dimethyloctyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(3,7-dimethyloctyl)piperidine-2-carboxylic acid is CC(C)CCCC(C)CCN1CCCCC1C(=O)O.
What is the InChIKey of 1-(3,7-dimethyloctyl)piperidine-2-carboxylic acid?
The InChIKey is RCDBGGNCAHORDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-13(2)7-6-8-14(3)10-12-17-11-5-4-9-15(17)16(18)19/h13-15H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 1-(3,7-dimethyloctyl)piperidine-2-carboxylic acid?
1-(3,7-dimethyloctyl)piperidine-2-carboxylic acid has a molecular weight of 269.43 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethyloctyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 169208784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).