N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine;hydrochloride

C12H20ClN3O — CID 126511816

IUPACN-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine;hydrochloride
SMILESCl.c1cc(CN(C2CCNCC2)C2CC2)no1
InChIInChI=1S/C12H19N3O.ClH/c1-2-11(1)15(9-10-5-8-16-14-10)12-3-6-13-7-4-12;/h5,8,11-13H,1-4,6-7,9H2;1H
InChIKeyAEFHPAGNPXRILQ-UHFFFAOYSA-N
MW257.76 g/mol
LogP1.81
Rot. Bonds4

About N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine;hydrochloride

N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine;hydrochloride (PubChem CID 126511816) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine;hydrochloride
PubChem CID126511816
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC NameN-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine;hydrochloride
SMILESCl.c1cc(CN(C2CCNCC2)C2CC2)no1
InChIInChI=1S/C12H19N3O.ClH/c1-2-11(1)15(9-10-5-8-16-14-10)12-3-6-13-7-4-12;/h5,8,11-13H,1-4,6-7,9H2;1H
InChIKeyAEFHPAGNPXRILQ-UHFFFAOYSA-N
XLogP1.81
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine;hydrochloride?
The IUPAC name of N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine;hydrochloride (CID 126511816) is N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine;hydrochloride is Cl.c1cc(CN(C2CCNCC2)C2CC2)no1.
What is the InChIKey of N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine;hydrochloride?
The InChIKey is AEFHPAGNPXRILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.ClH/c1-2-11(1)15(9-10-5-8-16-14-10)12-3-6-13-7-4-12;/h5,8,11-13H,1-4,6-7,9H2;1H.
What are the key properties of N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine;hydrochloride?
N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 126511816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).