1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine

C16H27N3 — CID 43650407

IUPAC1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine
SMILESCCCC(N)CN1CCN(C)CC1c1ccccc1
InChIInChI=1S/C16H27N3/c1-3-7-15(17)12-19-11-10-18(2)13-16(19)14-8-5-4-6-9-14/h4-6,8-9,15-16H,3,7,10-13,17H2,1-2H3
InChIKeySEMXXLUOLIYMIC-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.10
Rot. Bonds5

About 1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine

1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine (PubChem CID 43650407) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine.

Molecular Properties

Compound Name1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine
PubChem CID43650407
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine
SMILESCCCC(N)CN1CCN(C)CC1c1ccccc1
InChIInChI=1S/C16H27N3/c1-3-7-15(17)12-19-11-10-18(2)13-16(19)14-8-5-4-6-9-14/h4-6,8-9,15-16H,3,7,10-13,17H2,1-2H3
InChIKeySEMXXLUOLIYMIC-UHFFFAOYSA-N
XLogP2.10
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-2-ol
CID 113354637
3,3,3-trifluoro-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]propan-1-amine
CID 103366096
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine
CID 167753879
[2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine
CID 18070759
2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine
CID 62263763
(2S)-2-phenyl-1,4-dipropylpiperazine
CID 124541393
3-(4-methyl-2-phenylpiperazin-1-yl)propanal
CID 63039379
[5-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine
CID 62425279
3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one
CID 43229060
4-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-amine
CID 66235294

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine?
The IUPAC name of 1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine (CID 43650407) is 1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine.
What is the SMILES notation for 1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine?
The canonical SMILES for 1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine is CCCC(N)CN1CCN(C)CC1c1ccccc1.
What is the InChIKey of 1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine?
The InChIKey is SEMXXLUOLIYMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-7-15(17)12-19-11-10-18(2)13-16(19)14-8-5-4-6-9-14/h4-6,8-9,15-16H,3,7,10-13,17H2,1-2H3.
What are the key properties of 1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine?
1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine is sourced from PubChem (CID 43650407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).