4-(1-butylpiperidin-4-yl)piperidine-1-carboxylic acid

C15H28N2O2 — CID 68593197

IUPAC4-(1-butylpiperidin-4-yl)piperidine-1-carboxylic acid
SMILESCCCCN1CCC(C2CCN(C(=O)O)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-2-3-8-16-9-4-13(5-10-16)14-6-11-17(12-7-14)15(18)19/h13-14H,2-12H2,1H3,(H,18,19)
InChIKeyNXZWVVAQSFIHET-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.89
Rot. Bonds4

About 4-(1-butylpiperidin-4-yl)piperidine-1-carboxylic acid

4-(1-butylpiperidin-4-yl)piperidine-1-carboxylic acid (PubChem CID 68593197) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(1-butylpiperidin-4-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-butylpiperidin-4-yl)piperidine-1-carboxylic acid
PubChem CID68593197
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-(1-butylpiperidin-4-yl)piperidine-1-carboxylic acid
SMILESCCCCN1CCC(C2CCN(C(=O)O)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-2-3-8-16-9-4-13(5-10-16)14-6-11-17(12-7-14)15(18)19/h13-14H,2-12H2,1H3,(H,18,19)
InChIKeyNXZWVVAQSFIHET-UHFFFAOYSA-N
XLogP2.89
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-butylpiperidin-4-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(1-butylpiperidin-4-yl)piperidine-1-carboxylic acid (CID 68593197) is 4-(1-butylpiperidin-4-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(1-butylpiperidin-4-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(1-butylpiperidin-4-yl)piperidine-1-carboxylic acid is CCCCN1CCC(C2CCN(C(=O)O)CC2)CC1.
What is the InChIKey of 4-(1-butylpiperidin-4-yl)piperidine-1-carboxylic acid?
The InChIKey is NXZWVVAQSFIHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-3-8-16-9-4-13(5-10-16)14-6-11-17(12-7-14)15(18)19/h13-14H,2-12H2,1H3,(H,18,19).
What are the key properties of 4-(1-butylpiperidin-4-yl)piperidine-1-carboxylic acid?
4-(1-butylpiperidin-4-yl)piperidine-1-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butylpiperidin-4-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 68593197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).