(cyclopropylmethylamino) piperidine-1-carboxylate

C10H18N2O2 — CID 142606376

IUPAC(cyclopropylmethylamino) piperidine-1-carboxylate
SMILESO=C(ONCC1CC1)N1CCCCC1
InChIInChI=1S/C10H18N2O2/c13-10(12-6-2-1-3-7-12)14-11-8-9-4-5-9/h9,11H,1-8H2
InChIKeyAZVYWRZCJXDDDA-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.52
Rot. Bonds3

About (cyclopropylmethylamino) piperidine-1-carboxylate

(cyclopropylmethylamino) piperidine-1-carboxylate (PubChem CID 142606376) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (cyclopropylmethylamino) piperidine-1-carboxylate.

Molecular Properties

Compound Name(cyclopropylmethylamino) piperidine-1-carboxylate
PubChem CID142606376
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(cyclopropylmethylamino) piperidine-1-carboxylate
SMILESO=C(ONCC1CC1)N1CCCCC1
InChIInChI=1S/C10H18N2O2/c13-10(12-6-2-1-3-7-12)14-11-8-9-4-5-9/h9,11H,1-8H2
InChIKeyAZVYWRZCJXDDDA-UHFFFAOYSA-N
XLogP1.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (cyclopropylmethylamino) piperidine-1-carboxylate?
The IUPAC name of (cyclopropylmethylamino) piperidine-1-carboxylate (CID 142606376) is (cyclopropylmethylamino) piperidine-1-carboxylate.
What is the SMILES notation for (cyclopropylmethylamino) piperidine-1-carboxylate?
The canonical SMILES for (cyclopropylmethylamino) piperidine-1-carboxylate is O=C(ONCC1CC1)N1CCCCC1.
What is the InChIKey of (cyclopropylmethylamino) piperidine-1-carboxylate?
The InChIKey is AZVYWRZCJXDDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-10(12-6-2-1-3-7-12)14-11-8-9-4-5-9/h9,11H,1-8H2.
What are the key properties of (cyclopropylmethylamino) piperidine-1-carboxylate?
(cyclopropylmethylamino) piperidine-1-carboxylate has a molecular weight of 198.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclopropylmethylamino) piperidine-1-carboxylate is sourced from PubChem (CID 142606376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).