3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propylpropan-1-amine

C16H34N2 — CID 63159863

IUPAC3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)CN1CCC(C)(CC)CC1
InChIInChI=1S/C16H34N2/c1-6-10-17-13-15(3,4)14-18-11-8-16(5,7-2)9-12-18/h17H,6-14H2,1-5H3
InChIKeyRFUNKGLVQUKCIN-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds7

About 3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propylpropan-1-amine

3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propylpropan-1-amine (PubChem CID 63159863) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propylpropan-1-amine
PubChem CID63159863
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)CN1CCC(C)(CC)CC1
InChIInChI=1S/C16H34N2/c1-6-10-17-13-15(3,4)14-18-11-8-16(5,7-2)9-12-18/h17H,6-14H2,1-5H3
InChIKeyRFUNKGLVQUKCIN-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propylpropan-1-amine?
The IUPAC name of 3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propylpropan-1-amine (CID 63159863) is 3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propylpropan-1-amine is CCCNCC(C)(C)CN1CCC(C)(CC)CC1.
What is the InChIKey of 3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propylpropan-1-amine?
The InChIKey is RFUNKGLVQUKCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-10-17-13-15(3,4)14-18-11-8-16(5,7-2)9-12-18/h17H,6-14H2,1-5H3.
What are the key properties of 3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propylpropan-1-amine?
3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propylpropan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propylpropan-1-amine is sourced from PubChem (CID 63159863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).