N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]azetidin-3-amine

C12H25N3 — CID 138646011

IUPACN-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]azetidin-3-amine
SMILESCNC1CN(CCC2CCN(C)CC2)C1
InChIInChI=1S/C12H25N3/c1-13-12-9-15(10-12)8-5-11-3-6-14(2)7-4-11/h11-13H,3-10H2,1-2H3
InChIKeyPVYAISLCKXVNRI-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.62
Rot. Bonds4

About N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]azetidin-3-amine

N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]azetidin-3-amine (PubChem CID 138646011) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]azetidin-3-amine
PubChem CID138646011
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]azetidin-3-amine
SMILESCNC1CN(CCC2CCN(C)CC2)C1
InChIInChI=1S/C12H25N3/c1-13-12-9-15(10-12)8-5-11-3-6-14(2)7-4-11/h11-13H,3-10H2,1-2H3
InChIKeyPVYAISLCKXVNRI-UHFFFAOYSA-N
XLogP0.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 21129707
N-cyclopropyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-3-amine
CID 114516764
[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 114515912
1-(2-cyclohexylethyl)-N-methylpiperidin-3-amine;hydrochloride
CID 119919012
1-(2-cyclopentylethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 119923610
1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one
CID 114515872
1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine
CID 167265160
2-methyl-7-[2-(1-methylpiperidin-4-yl)ethyl]-2,7-diazaspiro[3.5]nonane
CID 169319615
N-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine
CID 83817392
1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine
CID 156559020
1,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-amine
CID 115717377
4-(2-chloroethyl)-1-methylpiperidine
CID 22568277

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]azetidin-3-amine?
The IUPAC name of N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]azetidin-3-amine (CID 138646011) is N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]azetidin-3-amine.
What is the SMILES notation for N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]azetidin-3-amine?
The canonical SMILES for N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]azetidin-3-amine is CNC1CN(CCC2CCN(C)CC2)C1.
What is the InChIKey of N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]azetidin-3-amine?
The InChIKey is PVYAISLCKXVNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-13-12-9-15(10-12)8-5-11-3-6-14(2)7-4-11/h11-13H,3-10H2,1-2H3.
What are the key properties of N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]azetidin-3-amine?
N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]azetidin-3-amine has a molecular weight of 211.35 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]azetidin-3-amine is sourced from PubChem (CID 138646011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).