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

C16H27N3O — CID 60841668

IUPACN-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine
SMILESCOc1cccc(N2CCN(CCNC(C)C)CC2)c1
InChIInChI=1S/C16H27N3O/c1-14(2)17-7-8-18-9-11-19(12-10-18)15-5-4-6-16(13-15)20-3/h4-6,13-14,17H,7-12H2,1-3H3
InChIKeyMKVMOKOUFVMMRJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.82
Rot. Bonds6

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

N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine (PubChem CID 60841668) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine
PubChem CID60841668
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine
SMILESCOc1cccc(N2CCN(CCNC(C)C)CC2)c1
InChIInChI=1S/C16H27N3O/c1-14(2)17-7-8-18-9-11-19(12-10-18)15-5-4-6-16(13-15)20-3/h4-6,13-14,17H,7-12H2,1-3H3
InChIKeyMKVMOKOUFVMMRJ-UHFFFAOYSA-N
XLogP1.82
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine
CID 66453614
4-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
CID 60851356
1-(6-chlorohexyl)-4-(3-methoxyphenyl)piperazine
CID 62229677
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine
CID 79479255
6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine
CID 106799286
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1-(3-methoxyphenyl)azepane
CID 57276431
1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine
CID 43199829
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62271087

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine (CID 60841668) is N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine is COc1cccc(N2CCN(CCNC(C)C)CC2)c1.
What is the InChIKey of N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine?
The InChIKey is MKVMOKOUFVMMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-14(2)17-7-8-18-9-11-19(12-10-18)15-5-4-6-16(13-15)20-3/h4-6,13-14,17H,7-12H2,1-3H3.
What are the key properties of N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine?
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine is sourced from PubChem (CID 60841668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).