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

C17H29N3O — CID 43199829

IUPAC1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine
SMILESCOc1cccc(N2CCN(CC(N)CC(C)C)CC2)c1
InChIInChI=1S/C17H29N3O/c1-14(2)11-15(18)13-19-7-9-20(10-8-19)16-5-4-6-17(12-16)21-3/h4-6,12,14-15H,7-11,13,18H2,1-3H3
InChIKeyMVSZMWNKLOTQMP-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.19
Rot. Bonds6

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

1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine (PubChem CID 43199829) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine
PubChem CID43199829
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine
SMILESCOc1cccc(N2CCN(CC(N)CC(C)C)CC2)c1
InChIInChI=1S/C17H29N3O/c1-14(2)11-15(18)13-19-7-9-20(10-8-19)16-5-4-6-17(12-16)21-3/h4-6,12,14-15H,7-11,13,18H2,1-3H3
InChIKeyMVSZMWNKLOTQMP-UHFFFAOYSA-N
XLogP2.19
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
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
6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine
CID 106799286
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol
CID 43187937
propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate
CID 60690618
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
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1-(3-methoxyphenyl)azepane
CID 57276431
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 60835678

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine?
The IUPAC name of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine (CID 43199829) is 1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine?
The canonical SMILES for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine is COc1cccc(N2CCN(CC(N)CC(C)C)CC2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine?
The InChIKey is MVSZMWNKLOTQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14(2)11-15(18)13-19-7-9-20(10-8-19)16-5-4-6-17(12-16)21-3/h4-6,12,14-15H,7-11,13,18H2,1-3H3.
What are the key properties of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine?
1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine is sourced from PubChem (CID 43199829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).