N-(piperazin-1-ylmethyl)-1-(4-propylphenyl)methanamine

C15H25N3 — CID 115229974

IUPACN-(piperazin-1-ylmethyl)-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(CNCN2CCNCC2)cc1
InChIInChI=1S/C15H25N3/c1-2-3-14-4-6-15(7-5-14)12-17-13-18-10-8-16-9-11-18/h4-7,16-17H,2-3,8-13H2,1H3
InChIKeyURYMMQVNDADQBH-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.59
Rot. Bonds6

About N-(piperazin-1-ylmethyl)-1-(4-propylphenyl)methanamine

N-(piperazin-1-ylmethyl)-1-(4-propylphenyl)methanamine (PubChem CID 115229974) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-(piperazin-1-ylmethyl)-1-(4-propylphenyl)methanamine.

Molecular Properties

Compound NameN-(piperazin-1-ylmethyl)-1-(4-propylphenyl)methanamine
PubChem CID115229974
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-(piperazin-1-ylmethyl)-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(CNCN2CCNCC2)cc1
InChIInChI=1S/C15H25N3/c1-2-3-14-4-6-15(7-5-14)12-17-13-18-10-8-16-9-11-18/h4-7,16-17H,2-3,8-13H2,1H3
InChIKeyURYMMQVNDADQBH-UHFFFAOYSA-N
XLogP1.59
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)methanamine
CID 115229953
1-[(4-propylphenyl)methyl]-1,4-diazepane
CID 82128938
1-(3-chloro-4-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine
CID 115229969
1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine
CID 115229991
5-[(piperazin-1-ylmethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115230015
N-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533
N-benzyl-2-piperazin-1-ylethanamine
CID 14900561
1-[4-(4-propylphenyl)butan-2-yl]piperazine
CID 116931952
N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine
CID 63424945
3-methyl-1-N-[(4-propylphenyl)methyl]butane-1,3-diamine
CID 115200583
piperazin-1-yl-(4-propylphenyl)methanamine
CID 116939744
1-(5-bromo-2-methylphenyl)-N-(piperazin-1-ylmethyl)methanamine
CID 115230024

Frequently Asked Questions

What is the IUPAC name of N-(piperazin-1-ylmethyl)-1-(4-propylphenyl)methanamine?
The IUPAC name of N-(piperazin-1-ylmethyl)-1-(4-propylphenyl)methanamine (CID 115229974) is N-(piperazin-1-ylmethyl)-1-(4-propylphenyl)methanamine.
What is the SMILES notation for N-(piperazin-1-ylmethyl)-1-(4-propylphenyl)methanamine?
The canonical SMILES for N-(piperazin-1-ylmethyl)-1-(4-propylphenyl)methanamine is CCCc1ccc(CNCN2CCNCC2)cc1.
What is the InChIKey of N-(piperazin-1-ylmethyl)-1-(4-propylphenyl)methanamine?
The InChIKey is URYMMQVNDADQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-3-14-4-6-15(7-5-14)12-17-13-18-10-8-16-9-11-18/h4-7,16-17H,2-3,8-13H2,1H3.
What are the key properties of N-(piperazin-1-ylmethyl)-1-(4-propylphenyl)methanamine?
N-(piperazin-1-ylmethyl)-1-(4-propylphenyl)methanamine has a molecular weight of 247.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperazin-1-ylmethyl)-1-(4-propylphenyl)methanamine is sourced from PubChem (CID 115229974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).