1-cycloheptyl-3-propylpiperidine-3-carboxylic acid

C16H29NO2 — CID 65068602

IUPAC1-cycloheptyl-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C2CCCCCC2)C1
InChIInChI=1S/C16H29NO2/c1-2-10-16(15(18)19)11-7-12-17(13-16)14-8-5-3-4-6-9-14/h14H,2-13H2,1H3,(H,18,19)
InChIKeyPZOBGQXYYBUQPD-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.68
Rot. Bonds4

About 1-cycloheptyl-3-propylpiperidine-3-carboxylic acid

1-cycloheptyl-3-propylpiperidine-3-carboxylic acid (PubChem CID 65068602) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-cycloheptyl-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cycloheptyl-3-propylpiperidine-3-carboxylic acid
PubChem CID65068602
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-cycloheptyl-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C2CCCCCC2)C1
InChIInChI=1S/C16H29NO2/c1-2-10-16(15(18)19)11-7-12-17(13-16)14-8-5-3-4-6-9-14/h14H,2-13H2,1H3,(H,18,19)
InChIKeyPZOBGQXYYBUQPD-UHFFFAOYSA-N
XLogP3.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
CID 65069083
1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
CID 65069035
1-(oxepan-4-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65080564
3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid
CID 64747777
1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-3-carboxylic acid
CID 65068501
1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 63140989
1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138101
1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65069095
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480
1-(3-methylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068943
3-ethyl-1-(oxan-4-yl)piperidine-3-carboxylic acid
CID 63936052
3-propyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid
CID 65069192

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-cycloheptyl-3-propylpiperidine-3-carboxylic acid (CID 65068602) is 1-cycloheptyl-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-cycloheptyl-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-cycloheptyl-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C2CCCCCC2)C1.
What is the InChIKey of 1-cycloheptyl-3-propylpiperidine-3-carboxylic acid?
The InChIKey is PZOBGQXYYBUQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-2-10-16(15(18)19)11-7-12-17(13-16)14-8-5-3-4-6-9-14/h14H,2-13H2,1H3,(H,18,19).
What are the key properties of 1-cycloheptyl-3-propylpiperidine-3-carboxylic acid?
1-cycloheptyl-3-propylpiperidine-3-carboxylic acid has a molecular weight of 267.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 65068602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).