1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine

C12H24N2 — CID 116679193

IUPAC1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine
SMILESCC1CCCN(CC(C)C2CNC2)C1
InChIInChI=1S/C12H24N2/c1-10-4-3-5-14(8-10)9-11(2)12-6-13-7-12/h10-13H,3-9H2,1-2H3
InChIKeyPSRBGHONLUYZNF-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.57
Rot. Bonds3

About 1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine

1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine (PubChem CID 116679193) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine
PubChem CID116679193
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine
SMILESCC1CCCN(CC(C)C2CNC2)C1
InChIInChI=1S/C12H24N2/c1-10-4-3-5-14(8-10)9-11(2)12-6-13-7-12/h10-13H,3-9H2,1-2H3
InChIKeyPSRBGHONLUYZNF-UHFFFAOYSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine?
The IUPAC name of 1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine (CID 116679193) is 1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine.
What is the SMILES notation for 1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine?
The canonical SMILES for 1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine is CC1CCCN(CC(C)C2CNC2)C1.
What is the InChIKey of 1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine?
The InChIKey is PSRBGHONLUYZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10-4-3-5-14(8-10)9-11(2)12-6-13-7-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine?
1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine has a molecular weight of 196.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine is sourced from PubChem (CID 116679193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).