N-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine

C16H26N2 — CID 57173334

IUPACN-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine
SMILESCCNC(CC1CCCCN1C)c1ccccc1
InChIInChI=1S/C16H26N2/c1-3-17-16(14-9-5-4-6-10-14)13-15-11-7-8-12-18(15)2/h4-6,9-10,15-17H,3,7-8,11-13H2,1-2H3
InChIKeyDLELNLLKTCAIPD-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.21
Rot. Bonds5

About N-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine

N-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine (PubChem CID 57173334) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine
PubChem CID57173334
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine
SMILESCCNC(CC1CCCCN1C)c1ccccc1
InChIInChI=1S/C16H26N2/c1-3-17-16(14-9-5-4-6-10-14)13-15-11-7-8-12-18(15)2/h4-6,9-10,15-17H,3,7-8,11-13H2,1-2H3
InChIKeyDLELNLLKTCAIPD-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine?
The IUPAC name of N-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine (CID 57173334) is N-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine.
What is the SMILES notation for N-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine?
The canonical SMILES for N-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine is CCNC(CC1CCCCN1C)c1ccccc1.
What is the InChIKey of N-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine?
The InChIKey is DLELNLLKTCAIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-17-16(14-9-5-4-6-10-14)13-15-11-7-8-12-18(15)2/h4-6,9-10,15-17H,3,7-8,11-13H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine?
N-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine is sourced from PubChem (CID 57173334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).