3-[[4-(1-ethylpiperidin-4-yl)-2,6-dimethylpiperazin-1-yl]methyl]azetidin-1-amine

C17H35N5 — CID 166946089

IUPAC3-[[4-(1-ethylpiperidin-4-yl)-2,6-dimethylpiperazin-1-yl]methyl]azetidin-1-amine
SMILESCCN1CCC(N2CC(C)N(CC3CN(N)C3)C(C)C2)CC1
InChIInChI=1S/C17H35N5/c1-4-19-7-5-17(6-8-19)20-9-14(2)22(15(3)10-20)13-16-11-21(18)12-16/h14-17H,4-13,18H2,1-3H3
InChIKeyMGZTWZRUQZLQER-UHFFFAOYSA-N
MW309.50 g/mol
LogP0.67
Rot. Bonds4

About 3-[[4-(1-ethylpiperidin-4-yl)-2,6-dimethylpiperazin-1-yl]methyl]azetidin-1-amine

3-[[4-(1-ethylpiperidin-4-yl)-2,6-dimethylpiperazin-1-yl]methyl]azetidin-1-amine (PubChem CID 166946089) has the molecular formula C17H35N5 and a molecular weight of 309.50 g/mol. Its IUPAC name is 3-[[4-(1-ethylpiperidin-4-yl)-2,6-dimethylpiperazin-1-yl]methyl]azetidin-1-amine.

Molecular Properties

Compound Name3-[[4-(1-ethylpiperidin-4-yl)-2,6-dimethylpiperazin-1-yl]methyl]azetidin-1-amine
PubChem CID166946089
Molecular FormulaC17H35N5
Molecular Weight309.50 g/mol
Exact Mass309.29
IUPAC Name3-[[4-(1-ethylpiperidin-4-yl)-2,6-dimethylpiperazin-1-yl]methyl]azetidin-1-amine
SMILESCCN1CCC(N2CC(C)N(CC3CN(N)C3)C(C)C2)CC1
InChIInChI=1S/C17H35N5/c1-4-19-7-5-17(6-8-19)20-9-14(2)22(15(3)10-20)13-16-11-21(18)12-16/h14-17H,4-13,18H2,1-3H3
InChIKeyMGZTWZRUQZLQER-UHFFFAOYSA-N
XLogP0.67
TPSA38.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-ethylpiperidin-4-yl)-2,6-dimethylpiperazin-1-yl]methyl]azetidin-1-amine?
The IUPAC name of 3-[[4-(1-ethylpiperidin-4-yl)-2,6-dimethylpiperazin-1-yl]methyl]azetidin-1-amine (CID 166946089) is 3-[[4-(1-ethylpiperidin-4-yl)-2,6-dimethylpiperazin-1-yl]methyl]azetidin-1-amine.
What is the SMILES notation for 3-[[4-(1-ethylpiperidin-4-yl)-2,6-dimethylpiperazin-1-yl]methyl]azetidin-1-amine?
The canonical SMILES for 3-[[4-(1-ethylpiperidin-4-yl)-2,6-dimethylpiperazin-1-yl]methyl]azetidin-1-amine is CCN1CCC(N2CC(C)N(CC3CN(N)C3)C(C)C2)CC1.
What is the InChIKey of 3-[[4-(1-ethylpiperidin-4-yl)-2,6-dimethylpiperazin-1-yl]methyl]azetidin-1-amine?
The InChIKey is MGZTWZRUQZLQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N5/c1-4-19-7-5-17(6-8-19)20-9-14(2)22(15(3)10-20)13-16-11-21(18)12-16/h14-17H,4-13,18H2,1-3H3.
What are the key properties of 3-[[4-(1-ethylpiperidin-4-yl)-2,6-dimethylpiperazin-1-yl]methyl]azetidin-1-amine?
3-[[4-(1-ethylpiperidin-4-yl)-2,6-dimethylpiperazin-1-yl]methyl]azetidin-1-amine has a molecular weight of 309.50 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-ethylpiperidin-4-yl)-2,6-dimethylpiperazin-1-yl]methyl]azetidin-1-amine is sourced from PubChem (CID 166946089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).