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

C16H27N3O — CID 103225282

IUPACN-ethyl-3-methoxy-2-(4-phenylpiperazin-1-yl)propan-1-amine
SMILESCCNCC(COC)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H27N3O/c1-3-17-13-16(14-20-2)19-11-9-18(10-12-19)15-7-5-4-6-8-15/h4-8,16-17H,3,9-14H2,1-2H3
InChIKeyQIQLQXMNPQZVFC-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.43
Rot. Bonds7

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

N-ethyl-3-methoxy-2-(4-phenylpiperazin-1-yl)propan-1-amine (PubChem CID 103225282) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-ethyl-3-methoxy-2-(4-phenylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-2-(4-phenylpiperazin-1-yl)propan-1-amine
PubChem CID103225282
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-ethyl-3-methoxy-2-(4-phenylpiperazin-1-yl)propan-1-amine
SMILESCCNCC(COC)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H27N3O/c1-3-17-13-16(14-20-2)19-11-9-18(10-12-19)15-7-5-4-6-8-15/h4-8,16-17H,3,9-14H2,1-2H3
InChIKeyQIQLQXMNPQZVFC-UHFFFAOYSA-N
XLogP1.43
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine
CID 62423101
1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-phenylpiperazine
CID 110181956
3-methoxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 103225441
(2R)-N-benzyl-2-(4-phenylpiperazin-1-yl)butane-1,4-diamine
CID 101335310
3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
CID 103225336
2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-ethyl-3-methoxypropan-1-amine
CID 103227201
1-[(2R)-2,3-dimethoxypropyl]-4-phenylpiperazine
CID 95561199
1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111237365
1-(4-phenylpiperazin-1-yl)propan-1-ol
CID 57202840
3-methoxy-2-(3-phenylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 103225133
methyl 2-(4-phenylpiperazin-1-yl)pentanoate
CID 43906551
N-(1-methoxybutan-2-yl)-1-phenylpiperidin-4-amine
CID 103778420

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-2-(4-phenylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-methoxy-2-(4-phenylpiperazin-1-yl)propan-1-amine (CID 103225282) is N-ethyl-3-methoxy-2-(4-phenylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-2-(4-phenylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-2-(4-phenylpiperazin-1-yl)propan-1-amine is CCNCC(COC)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-ethyl-3-methoxy-2-(4-phenylpiperazin-1-yl)propan-1-amine?
The InChIKey is QIQLQXMNPQZVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-17-13-16(14-20-2)19-11-9-18(10-12-19)15-7-5-4-6-8-15/h4-8,16-17H,3,9-14H2,1-2H3.
What are the key properties of N-ethyl-3-methoxy-2-(4-phenylpiperazin-1-yl)propan-1-amine?
N-ethyl-3-methoxy-2-(4-phenylpiperazin-1-yl)propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-2-(4-phenylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 103225282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).