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

C16H27N3O — CID 43650418

IUPAC1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-2-amine
SMILESCCCC(N)CN1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H27N3O/c1-3-4-14(17)13-18-9-11-19(12-10-18)15-5-7-16(20-2)8-6-15/h5-8,14H,3-4,9-13,17H2,1-2H3
InChIKeyGUUBEWOFWNNRQP-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.94
Rot. Bonds6

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

1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-2-amine (PubChem CID 43650418) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-2-amine.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-2-amine
PubChem CID43650418
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-2-amine
SMILESCCCC(N)CN1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H27N3O/c1-3-4-14(17)13-18-9-11-19(12-10-18)15-5-7-16(20-2)8-6-15/h5-8,14H,3-4,9-13,17H2,1-2H3
InChIKeyGUUBEWOFWNNRQP-UHFFFAOYSA-N
XLogP1.94
TPSA41.73 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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol
CID 64792176
1-cyclopropyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
CID 63913419
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxybutan-2-amine
CID 62477828
(2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 2106519
(2R)-1-butoxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 30844662
1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine
CID 71277666
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine
CID 81101377
6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol
CID 106802258
1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
CID 139509898
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
4-[4-(2-methylpentyl)piperazin-1-yl]aniline
CID 62265544

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-2-amine?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-2-amine (CID 43650418) is 1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-2-amine.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-2-amine?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-2-amine is CCCC(N)CN1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-2-amine?
The InChIKey is GUUBEWOFWNNRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-4-14(17)13-18-9-11-19(12-10-18)15-5-7-16(20-2)8-6-15/h5-8,14H,3-4,9-13,17H2,1-2H3.
What are the key properties of 1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-2-amine?
1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-2-amine is sourced from PubChem (CID 43650418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).