N-ethyl-1-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine

C15H26N4O — CID 107505304

IUPACN-ethyl-1-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
SMILESCCNC(COC)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H26N4O/c1-3-16-14(13-20-2)12-18-8-10-19(11-9-18)15-6-4-5-7-17-15/h4-7,14,16H,3,8-13H2,1-2H3
InChIKeyZQXBCTAOGIJNGH-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.83
Rot. Bonds7

About N-ethyl-1-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine

N-ethyl-1-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine (PubChem CID 107505304) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-ethyl-1-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
PubChem CID107505304
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-ethyl-1-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
SMILESCCNC(COC)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H26N4O/c1-3-16-14(13-20-2)12-18-8-10-19(11-9-18)15-6-4-5-7-17-15/h4-7,14,16H,3,8-13H2,1-2H3
InChIKeyZQXBCTAOGIJNGH-UHFFFAOYSA-N
XLogP0.83
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(propylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 64792358
1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3774471
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
1-methoxy-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine
CID 107505301
N-(1-methoxypropan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 51199549
N-ethyl-1-methoxy-3-pyrrolidin-1-ylpropan-2-amine
CID 107505229
1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-amine
CID 43650423
1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3863720
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine
CID 55024348
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
1-(2-ethoxyethyl)-4-pyridin-2-yl-1,4-diazepane
CID 75506679

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine (CID 107505304) is N-ethyl-1-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine is CCNC(COC)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of N-ethyl-1-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine?
The InChIKey is ZQXBCTAOGIJNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-16-14(13-20-2)12-18-8-10-19(11-9-18)15-6-4-5-7-17-15/h4-7,14,16H,3,8-13H2,1-2H3.
What are the key properties of N-ethyl-1-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine?
N-ethyl-1-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine has a molecular weight of 278.40 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 107505304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).