1-[3-(azetidin-1-yl)propyl]-4-methylpiperidine

C12H24N2 — CID 69020808

IUPAC1-[3-(azetidin-1-yl)propyl]-4-methylpiperidine
SMILESCC1CCN(CCCN2CCC2)CC1
InChIInChI=1S/C12H24N2/c1-12-4-10-14(11-5-12)9-3-8-13-6-2-7-13/h12H,2-11H2,1H3
InChIKeyNCYSMNVQVOUOBU-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.81
Rot. Bonds4

About 1-[3-(azetidin-1-yl)propyl]-4-methylpiperidine

1-[3-(azetidin-1-yl)propyl]-4-methylpiperidine (PubChem CID 69020808) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-[3-(azetidin-1-yl)propyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[3-(azetidin-1-yl)propyl]-4-methylpiperidine
PubChem CID69020808
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-[3-(azetidin-1-yl)propyl]-4-methylpiperidine
SMILESCC1CCN(CCCN2CCC2)CC1
InChIInChI=1S/C12H24N2/c1-12-4-10-14(11-5-12)9-3-8-13-6-2-7-13/h12H,2-11H2,1H3
InChIKeyNCYSMNVQVOUOBU-UHFFFAOYSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethyl-4-methylpiperidine
CID 4178649
1-Butyl-4-methylpiperidine
CID 4104802
1-Propyl-4-methylpiperidine
CID 4100429
4-[3-(Fluoromethyl)azetidin-1-yl]-1-methylpiperidine
CID 121185012
4-(3-Ethyl-3-fluoroazetidin-1-yl)-1-propan-2-ylpiperidine
CID 155034659
4-[3-Fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine
CID 155034660
4-[3-Fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-methylpiperidine
CID 155599537
2-(Fluoromethyl)-7-propyl-2,7-diazaspiro[3.5]nonane
CID 155740900
2,7-Diethyl-5-fluoro-2,7-diazaspiro[3.5]nonane
CID 166496596
4-[(3-Ethylazetidin-1-yl)methyl]-4-fluoro-1-propan-2-ylpiperidine
CID 166536676
1-[2-(3-Fluoro-1-methylazetidin-3-yl)ethyl]-4-methylpiperidine
CID 166536782
1-[(3-Fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperidine
CID 166536816

Frequently Asked Questions

What is the IUPAC name of 1-[3-(azetidin-1-yl)propyl]-4-methylpiperidine?
The IUPAC name of 1-[3-(azetidin-1-yl)propyl]-4-methylpiperidine (CID 69020808) is 1-[3-(azetidin-1-yl)propyl]-4-methylpiperidine.
What is the SMILES notation for 1-[3-(azetidin-1-yl)propyl]-4-methylpiperidine?
The canonical SMILES for 1-[3-(azetidin-1-yl)propyl]-4-methylpiperidine is CC1CCN(CCCN2CCC2)CC1.
What is the InChIKey of 1-[3-(azetidin-1-yl)propyl]-4-methylpiperidine?
The InChIKey is NCYSMNVQVOUOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-12-4-10-14(11-5-12)9-3-8-13-6-2-7-13/h12H,2-11H2,1H3.
What are the key properties of 1-[3-(azetidin-1-yl)propyl]-4-methylpiperidine?
1-[3-(azetidin-1-yl)propyl]-4-methylpiperidine has a molecular weight of 196.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azetidin-1-yl)propyl]-4-methylpiperidine is sourced from PubChem (CID 69020808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).