4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine-1-carboxylic acid

C14H25N3O2 — CID 68705249

IUPAC4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CC2CCCN(C3CC3)C2)CC1
InChIInChI=1S/C14H25N3O2/c18-14(19)16-8-6-15(7-9-16)10-12-2-1-5-17(11-12)13-3-4-13/h12-13H,1-11H2,(H,18,19)
InChIKeyOBVBRHGUMRRLQX-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.16
Rot. Bonds3

About 4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine-1-carboxylic acid

4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine-1-carboxylic acid (PubChem CID 68705249) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine-1-carboxylic acid
PubChem CID68705249
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CC2CCCN(C3CC3)C2)CC1
InChIInChI=1S/C14H25N3O2/c18-14(19)16-8-6-15(7-9-16)10-12-2-1-5-17(11-12)13-3-4-13/h12-13H,1-11H2,(H,18,19)
InChIKeyOBVBRHGUMRRLQX-UHFFFAOYSA-N
XLogP1.16
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine-1-carboxylic acid (CID 68705249) is 4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(CC2CCCN(C3CC3)C2)CC1.
What is the InChIKey of 4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine-1-carboxylic acid?
The InChIKey is OBVBRHGUMRRLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c18-14(19)16-8-6-15(7-9-16)10-12-2-1-5-17(11-12)13-3-4-13/h12-13H,1-11H2,(H,18,19).
What are the key properties of 4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine-1-carboxylic acid?
4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 68705249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).