N-methyl-2-piperazin-1-yl-5-propan-2-ylaniline

C14H23N3 — CID 138530542

IUPACN-methyl-2-piperazin-1-yl-5-propan-2-ylaniline
SMILESCNc1cc(C(C)C)ccc1N1CCNCC1
InChIInChI=1S/C14H23N3/c1-11(2)12-4-5-14(13(10-12)15-3)17-8-6-16-7-9-17/h4-5,10-11,15-16H,6-9H2,1-3H3
InChIKeyVLVNJGBDHUYQSA-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.26
Rot. Bonds3

About N-methyl-2-piperazin-1-yl-5-propan-2-ylaniline

N-methyl-2-piperazin-1-yl-5-propan-2-ylaniline (PubChem CID 138530542) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-methyl-2-piperazin-1-yl-5-propan-2-ylaniline.

Molecular Properties

Compound NameN-methyl-2-piperazin-1-yl-5-propan-2-ylaniline
PubChem CID138530542
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-methyl-2-piperazin-1-yl-5-propan-2-ylaniline
SMILESCNc1cc(C(C)C)ccc1N1CCNCC1
InChIInChI=1S/C14H23N3/c1-11(2)12-4-5-14(13(10-12)15-3)17-8-6-16-7-9-17/h4-5,10-11,15-16H,6-9H2,1-3H3
InChIKeyVLVNJGBDHUYQSA-UHFFFAOYSA-N
XLogP2.26
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperazin-1-yl-5-propan-2-ylaniline?
The IUPAC name of N-methyl-2-piperazin-1-yl-5-propan-2-ylaniline (CID 138530542) is N-methyl-2-piperazin-1-yl-5-propan-2-ylaniline.
What is the SMILES notation for N-methyl-2-piperazin-1-yl-5-propan-2-ylaniline?
The canonical SMILES for N-methyl-2-piperazin-1-yl-5-propan-2-ylaniline is CNc1cc(C(C)C)ccc1N1CCNCC1.
What is the InChIKey of N-methyl-2-piperazin-1-yl-5-propan-2-ylaniline?
The InChIKey is VLVNJGBDHUYQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(2)12-4-5-14(13(10-12)15-3)17-8-6-16-7-9-17/h4-5,10-11,15-16H,6-9H2,1-3H3.
What are the key properties of N-methyl-2-piperazin-1-yl-5-propan-2-ylaniline?
N-methyl-2-piperazin-1-yl-5-propan-2-ylaniline has a molecular weight of 233.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperazin-1-yl-5-propan-2-ylaniline is sourced from PubChem (CID 138530542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).