1-[2-(azetidin-3-ylidene)propyl]-N,N-dimethylpiperidin-4-amine

C13H25N3 — CID 116679450

IUPAC1-[2-(azetidin-3-ylidene)propyl]-N,N-dimethylpiperidin-4-amine
SMILESCC(CN1CCC(N(C)C)CC1)=C1CNC1
InChIInChI=1S/C13H25N3/c1-11(12-8-14-9-12)10-16-6-4-13(5-7-16)15(2)3/h13-14H,4-10H2,1-3H3
InChIKeyYEPRBCPYDMSDBS-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.93
Rot. Bonds3

About 1-[2-(azetidin-3-ylidene)propyl]-N,N-dimethylpiperidin-4-amine

1-[2-(azetidin-3-ylidene)propyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 116679450) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[2-(azetidin-3-ylidene)propyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(azetidin-3-ylidene)propyl]-N,N-dimethylpiperidin-4-amine
PubChem CID116679450
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-[2-(azetidin-3-ylidene)propyl]-N,N-dimethylpiperidin-4-amine
SMILESCC(CN1CCC(N(C)C)CC1)=C1CNC1
InChIInChI=1S/C13H25N3/c1-11(12-8-14-9-12)10-16-6-4-13(5-7-16)15(2)3/h13-14H,4-10H2,1-3H3
InChIKeyYEPRBCPYDMSDBS-UHFFFAOYSA-N
XLogP0.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(azetidin-3-ylidene)propyl]-3,6-dihydro-2H-pyridine
CID 114410690
3-[4-(dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106745730
1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 54981545
2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
CID 43797318
1-(cyclopropylmethyl)-N,N-dimethylpiperidin-4-amine
CID 121338360
2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone
CID 43797315
N-[2-(azetidin-3-ylidene)propyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 116679790
4-[4-(dimethylamino)piperidin-1-yl]-2-methylbut-2-enoic acid
CID 77074623
1-cyclopropyl-2-[4-(dimethylamino)piperidin-1-yl]ethanol
CID 63908245
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone
CID 55169216
1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane
CID 143677842
4-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylbutanoic acid
CID 65248161

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-ylidene)propyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2-(azetidin-3-ylidene)propyl]-N,N-dimethylpiperidin-4-amine (CID 116679450) is 1-[2-(azetidin-3-ylidene)propyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(azetidin-3-ylidene)propyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-(azetidin-3-ylidene)propyl]-N,N-dimethylpiperidin-4-amine is CC(CN1CCC(N(C)C)CC1)=C1CNC1.
What is the InChIKey of 1-[2-(azetidin-3-ylidene)propyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is YEPRBCPYDMSDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-11(12-8-14-9-12)10-16-6-4-13(5-7-16)15(2)3/h13-14H,4-10H2,1-3H3.
What are the key properties of 1-[2-(azetidin-3-ylidene)propyl]-N,N-dimethylpiperidin-4-amine?
1-[2-(azetidin-3-ylidene)propyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 223.36 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-ylidene)propyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 116679450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).