N-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine

C12H25N3 — CID 116679267

IUPACN-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)CCC2CNC2)CC1
InChIInChI=1S/C12H25N3/c1-14-6-4-12(5-7-14)15(2)8-3-11-9-13-10-11/h11-13H,3-10H2,1-2H3
InChIKeyZYZLKZXSTYCQID-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.62
Rot. Bonds4

About N-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine

N-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 116679267) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine
PubChem CID116679267
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)CCC2CNC2)CC1
InChIInChI=1S/C12H25N3/c1-14-6-4-12(5-7-14)15(2)8-3-11-9-13-10-11/h11-13H,3-10H2,1-2H3
InChIKeyZYZLKZXSTYCQID-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

N-methyl-N-[(1-methylpiperidin-4-yl)methyl]azetidin-3-amine
CID 63236886
N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-amine
CID 82892705
ethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 144721860
2-(azetidin-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 116680014
N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 59369351
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclopropanamine
CID 138723132
N,1-dimethyl-N-(2-piperidin-4-yloxyethyl)piperidin-4-amine
CID 55251859
N,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine
CID 115255572
N,1-dimethyl-N-(piperazin-1-ylmethyl)piperidin-4-amine
CID 115229945
N-(3-methoxypropyl)-N,1-dimethylpiperidin-4-amine
CID 166948035
N,2,2-trimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidin-4-amine
CID 115145636
1-(aminomethyl)-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexan-1-ol
CID 117039426

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine (CID 116679267) is N-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)CCC2CNC2)CC1.
What is the InChIKey of N-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is ZYZLKZXSTYCQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-14-6-4-12(5-7-14)15(2)8-3-11-9-13-10-11/h11-13H,3-10H2,1-2H3.
What are the key properties of N-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine?
N-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-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-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 116679267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).