N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine

C16H27N3O — CID 19018032

IUPACN-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine
SMILESCNCCN1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C16H27N3O/c1-17-8-10-19-13-11-18(12-14-19)9-5-15-20-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3
InChIKeyKHHXJIREHSWKHB-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.29
Rot. Bonds8

About N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine

N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine (PubChem CID 19018032) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine
PubChem CID19018032
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine
SMILESCNCCN1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C16H27N3O/c1-17-8-10-19-13-11-18(12-14-19)9-5-15-20-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3
InChIKeyKHHXJIREHSWKHB-UHFFFAOYSA-N
XLogP1.29
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960
1-[3-(4-benzylphenoxy)propyl]-4-methylpiperazine
CID 2994905
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
N-methyl-3-phenoxypropan-1-amine
CID 22067856
1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
CID 2995879
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
2-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]propanenitrile
CID 63340060
1-(3-phenoxypropyl)piperazine
CID 2760351
1-(2-bromoethyl)-4-(3-phenoxypropyl)-1,4-diazepane
CID 80668169
2-[(6R)-4-[3-(4-fluorophenoxy)propyl]-6-methoxy-1,4-diazepan-1-yl]-N-methylethanamine
CID 174001455
N-[1-(3-phenoxypropyl)piperidin-4-ylidene]hydroxylamine
CID 18002226

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine (CID 19018032) is N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine is CNCCN1CCN(CCCOc2ccccc2)CC1.
What is the InChIKey of N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine?
The InChIKey is KHHXJIREHSWKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-17-8-10-19-13-11-18(12-14-19)9-5-15-20-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3.
What are the key properties of N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine?
N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 19018032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).