4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine

C17H29N3 — CID 104681774

IUPAC4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine
SMILESCc1cccc(N2CCN(CC(C)CCCN)CC2)c1
InChIInChI=1S/C17H29N3/c1-15-5-3-7-17(13-15)20-11-9-19(10-12-20)14-16(2)6-4-8-18/h3,5,7,13,16H,4,6,8-12,14,18H2,1-2H3
InChIKeyYKZPTDDVFMDETF-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.49
Rot. Bonds6

About 4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine

4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine (PubChem CID 104681774) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine
PubChem CID104681774
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine
SMILESCc1cccc(N2CCN(CC(C)CCCN)CC2)c1
InChIInChI=1S/C17H29N3/c1-15-5-3-7-17(13-15)20-11-9-19(10-12-20)14-16(2)6-4-8-18/h3,5,7,13,16H,4,6,8-12,14,18H2,1-2H3
InChIKeyYKZPTDDVFMDETF-UHFFFAOYSA-N
XLogP2.49
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-methylpentan-1-amine
CID 104681822
N-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine
CID 55135742
1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol
CID 62044767
(2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
CID 94183925
1-(2,2-diethoxyethyl)-4-(3-methylphenyl)piperazine
CID 63618670
2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine
CID 81080109
(2S)-1-(4-methylphenoxy)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
CID 92856434
1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
CID 63933549
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
methyl 2-bromo-3-[4-(3-methylphenyl)piperazin-1-yl]propanoate
CID 81100689
[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine
CID 18070769
4-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
CID 60851356

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine (CID 104681774) is 4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine is Cc1cccc(N2CCN(CC(C)CCCN)CC2)c1.
What is the InChIKey of 4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine?
The InChIKey is YKZPTDDVFMDETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-15-5-3-7-17(13-15)20-11-9-19(10-12-20)14-16(2)6-4-8-18/h3,5,7,13,16H,4,6,8-12,14,18H2,1-2H3.
What are the key properties of 4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine?
4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 104681774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).