N-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine

C16H27N3 — CID 55135742

IUPACN-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine
SMILESCCNC(C)CN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C16H27N3/c1-4-17-15(3)13-18-8-10-19(11-9-18)16-7-5-6-14(2)12-16/h5-7,12,15,17H,4,8-11,13H2,1-3H3
InChIKeyQYUDDKGMYDCBRD-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.12
Rot. Bonds5

About N-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine

N-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine (PubChem CID 55135742) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine
PubChem CID55135742
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine
SMILESCCNC(C)CN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C16H27N3/c1-4-17-15(3)13-18-8-10-19(11-9-18)16-7-5-6-14(2)12-16/h5-7,12,15,17H,4,8-11,13H2,1-3H3
InChIKeyQYUDDKGMYDCBRD-UHFFFAOYSA-N
XLogP2.12
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2-diethoxyethyl)-4-(3-methylphenyl)piperazine
CID 63618670
4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine
CID 104681774
1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol
CID 62044767
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
(2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
CID 94183925
4-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
CID 60851356
1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
CID 63933549
methyl 2-bromo-3-[4-(3-methylphenyl)piperazin-1-yl]propanoate
CID 81100689
1-(3-methylphenyl)piperidine;propane
CID 143942273
1-(4-ethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 53180192
(2S)-1-(4-methylphenoxy)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
CID 92856434
(1R)-1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 95104720

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine?
The IUPAC name of N-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine (CID 55135742) is N-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine?
The canonical SMILES for N-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine is CCNC(C)CN1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of N-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine?
The InChIKey is QYUDDKGMYDCBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-17-15(3)13-18-8-10-19(11-9-18)16-7-5-6-14(2)12-16/h5-7,12,15,17H,4,8-11,13H2,1-3H3.
What are the key properties of N-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine?
N-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine is sourced from PubChem (CID 55135742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).