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

C14H23N3O — CID 28599641

IUPAC(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
SMILESCOc1cccc(N2CCN(C[C@H](C)N)CC2)c1
InChIInChI=1S/C14H23N3O/c1-12(15)11-16-6-8-17(9-7-16)13-4-3-5-14(10-13)18-2/h3-5,10,12H,6-9,11,15H2,1-2H3/t12-/m0/s1
InChIKeyLOTOPMANCGBXKU-LBPRGKRZSA-N
MW249.36 g/mol
LogP1.16
Rot. Bonds4

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

(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine (PubChem CID 28599641) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
PubChem CID28599641
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
SMILESCOc1cccc(N2CCN(C[C@H](C)N)CC2)c1
InChIInChI=1S/C14H23N3O/c1-12(15)11-16-6-8-17(9-7-16)13-4-3-5-14(10-13)18-2/h3-5,10,12H,6-9,11,15H2,1-2H3/t12-/m0/s1
InChIKeyLOTOPMANCGBXKU-LBPRGKRZSA-N
XLogP1.16
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine
CID 43199829
2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine
CID 174368771
4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine
CID 66453614
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol
CID 43187937
3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 60835678
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine
CID 60841668
1-cyclopropyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylethanamine
CID 63915152
6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine
CID 106799286
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate
CID 60690618
1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
CID 10243741

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine?
The IUPAC name of (2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine (CID 28599641) is (2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine.
What is the SMILES notation for (2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine?
The canonical SMILES for (2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine is COc1cccc(N2CCN(C[C@H](C)N)CC2)c1.
What is the InChIKey of (2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine?
The InChIKey is LOTOPMANCGBXKU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12(15)11-16-6-8-17(9-7-16)13-4-3-5-14(10-13)18-2/h3-5,10,12H,6-9,11,15H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine?
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine has a molecular weight of 249.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine is sourced from PubChem (CID 28599641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).