piperazin-1-yl-(4-propylphenyl)methanamine

C14H23N3 — CID 116939744

IUPACpiperazin-1-yl-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(N)N2CCNCC2)cc1
InChIInChI=1S/C14H23N3/c1-2-3-12-4-6-13(7-5-12)14(15)17-10-8-16-9-11-17/h4-7,14,16H,2-3,8-11,15H2,1H3
InChIKeyXKKROTJVDQVNRJ-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.50
Rot. Bonds4

About piperazin-1-yl-(4-propylphenyl)methanamine

piperazin-1-yl-(4-propylphenyl)methanamine (PubChem CID 116939744) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is piperazin-1-yl-(4-propylphenyl)methanamine.

Molecular Properties

Compound Namepiperazin-1-yl-(4-propylphenyl)methanamine
PubChem CID116939744
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Namepiperazin-1-yl-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(N)N2CCNCC2)cc1
InChIInChI=1S/C14H23N3/c1-2-3-12-4-6-13(7-5-12)14(15)17-10-8-16-9-11-17/h4-7,14,16H,2-3,8-11,15H2,1H3
InChIKeyXKKROTJVDQVNRJ-UHFFFAOYSA-N
XLogP1.50
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-piperazin-1-ylmethanamine
CID 116939727
1-[4-(4-propylphenyl)butan-2-yl]piperazine
CID 116931952
(4-tert-butylphenyl)-piperazin-1-ylmethanamine
CID 116939723
(4-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939730
1-[1-(4-butylphenyl)propyl]piperazine
CID 112512741
piperazin-1-yl-(4-propan-2-ylsulfanylphenyl)methanamine
CID 116939801
2-(4-butylphenyl)-2-piperazin-1-ylacetamide
CID 70044292
azetidin-3-yl-(4-propylphenyl)methanamine
CID 116935291
1-[(4-propylphenyl)methyl]-1,4-diazepane
CID 82128938
(3-ethyl-4-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939767
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
2-amino-2-(4-propylphenyl)acetonitrile
CID 90203158

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-(4-propylphenyl)methanamine?
The IUPAC name of piperazin-1-yl-(4-propylphenyl)methanamine (CID 116939744) is piperazin-1-yl-(4-propylphenyl)methanamine.
What is the SMILES notation for piperazin-1-yl-(4-propylphenyl)methanamine?
The canonical SMILES for piperazin-1-yl-(4-propylphenyl)methanamine is CCCc1ccc(C(N)N2CCNCC2)cc1.
What is the InChIKey of piperazin-1-yl-(4-propylphenyl)methanamine?
The InChIKey is XKKROTJVDQVNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-3-12-4-6-13(7-5-12)14(15)17-10-8-16-9-11-17/h4-7,14,16H,2-3,8-11,15H2,1H3.
What are the key properties of piperazin-1-yl-(4-propylphenyl)methanamine?
piperazin-1-yl-(4-propylphenyl)methanamine has a molecular weight of 233.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-(4-propylphenyl)methanamine is sourced from PubChem (CID 116939744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).