N,N-dimethyl-1-phenyl-1-piperazin-2-ylmethanamine

C13H21N3 — CID 90936858

IUPACN,N-dimethyl-1-phenyl-1-piperazin-2-ylmethanamine
SMILESCN(C)C(c1ccccc1)C1CNCCN1
InChIInChI=1S/C13H21N3/c1-16(2)13(11-6-4-3-5-7-11)12-10-14-8-9-15-12/h3-7,12-15H,8-10H2,1-2H3
InChIKeyAHNGJLAONAVCMT-UHFFFAOYSA-N
MW219.33 g/mol
LogP0.85
Rot. Bonds3

About N,N-dimethyl-1-phenyl-1-piperazin-2-ylmethanamine

N,N-dimethyl-1-phenyl-1-piperazin-2-ylmethanamine (PubChem CID 90936858) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N,N-dimethyl-1-phenyl-1-piperazin-2-ylmethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-phenyl-1-piperazin-2-ylmethanamine
PubChem CID90936858
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN,N-dimethyl-1-phenyl-1-piperazin-2-ylmethanamine
SMILESCN(C)C(c1ccccc1)C1CNCCN1
InChIInChI=1S/C13H21N3/c1-16(2)13(11-6-4-3-5-7-11)12-10-14-8-9-15-12/h3-7,12-15H,8-10H2,1-2H3
InChIKeyAHNGJLAONAVCMT-UHFFFAOYSA-N
XLogP0.85
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenyl-1-piperazin-2-ylmethanamine?
The IUPAC name of N,N-dimethyl-1-phenyl-1-piperazin-2-ylmethanamine (CID 90936858) is N,N-dimethyl-1-phenyl-1-piperazin-2-ylmethanamine.
What is the SMILES notation for N,N-dimethyl-1-phenyl-1-piperazin-2-ylmethanamine?
The canonical SMILES for N,N-dimethyl-1-phenyl-1-piperazin-2-ylmethanamine is CN(C)C(c1ccccc1)C1CNCCN1.
What is the InChIKey of N,N-dimethyl-1-phenyl-1-piperazin-2-ylmethanamine?
The InChIKey is AHNGJLAONAVCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-16(2)13(11-6-4-3-5-7-11)12-10-14-8-9-15-12/h3-7,12-15H,8-10H2,1-2H3.
What are the key properties of N,N-dimethyl-1-phenyl-1-piperazin-2-ylmethanamine?
N,N-dimethyl-1-phenyl-1-piperazin-2-ylmethanamine has a molecular weight of 219.33 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenyl-1-piperazin-2-ylmethanamine is sourced from PubChem (CID 90936858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).