2-(4-ethyl-4-methylpiperidin-1-yl)-4-phenylpentan-1-amine

C19H32N2 — CID 63157326

IUPAC2-(4-ethyl-4-methylpiperidin-1-yl)-4-phenylpentan-1-amine
SMILESCCC1(C)CCN(C(CN)CC(C)c2ccccc2)CC1
InChIInChI=1S/C19H32N2/c1-4-19(3)10-12-21(13-11-19)18(15-20)14-16(2)17-8-6-5-7-9-17/h5-9,16,18H,4,10-15,20H2,1-3H3
InChIKeyMVFYSNDLWLPJNL-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.02
Rot. Bonds6

About 2-(4-ethyl-4-methylpiperidin-1-yl)-4-phenylpentan-1-amine

2-(4-ethyl-4-methylpiperidin-1-yl)-4-phenylpentan-1-amine (PubChem CID 63157326) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-(4-ethyl-4-methylpiperidin-1-yl)-4-phenylpentan-1-amine.

Molecular Properties

Compound Name2-(4-ethyl-4-methylpiperidin-1-yl)-4-phenylpentan-1-amine
PubChem CID63157326
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-(4-ethyl-4-methylpiperidin-1-yl)-4-phenylpentan-1-amine
SMILESCCC1(C)CCN(C(CN)CC(C)c2ccccc2)CC1
InChIInChI=1S/C19H32N2/c1-4-19(3)10-12-21(13-11-19)18(15-20)14-16(2)17-8-6-5-7-9-17/h5-9,16,18H,4,10-15,20H2,1-3H3
InChIKeyMVFYSNDLWLPJNL-UHFFFAOYSA-N
XLogP4.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)-4-phenylpentan-1-amine?
The IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)-4-phenylpentan-1-amine (CID 63157326) is 2-(4-ethyl-4-methylpiperidin-1-yl)-4-phenylpentan-1-amine.
What is the SMILES notation for 2-(4-ethyl-4-methylpiperidin-1-yl)-4-phenylpentan-1-amine?
The canonical SMILES for 2-(4-ethyl-4-methylpiperidin-1-yl)-4-phenylpentan-1-amine is CCC1(C)CCN(C(CN)CC(C)c2ccccc2)CC1.
What is the InChIKey of 2-(4-ethyl-4-methylpiperidin-1-yl)-4-phenylpentan-1-amine?
The InChIKey is MVFYSNDLWLPJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-19(3)10-12-21(13-11-19)18(15-20)14-16(2)17-8-6-5-7-9-17/h5-9,16,18H,4,10-15,20H2,1-3H3.
What are the key properties of 2-(4-ethyl-4-methylpiperidin-1-yl)-4-phenylpentan-1-amine?
2-(4-ethyl-4-methylpiperidin-1-yl)-4-phenylpentan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methylpiperidin-1-yl)-4-phenylpentan-1-amine is sourced from PubChem (CID 63157326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).