N-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)methanamine

C15H25N3 — CID 115229953

IUPACN-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(CNCN2CCNCC2)cc1
InChIInChI=1S/C15H25N3/c1-13(2)15-5-3-14(4-6-15)11-17-12-18-9-7-16-8-10-18/h3-6,13,16-17H,7-12H2,1-2H3
InChIKeyBEZPAMQJEZWTOD-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.76
Rot. Bonds5

About N-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)methanamine

N-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 115229953) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound NameN-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)methanamine
PubChem CID115229953
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(CNCN2CCNCC2)cc1
InChIInChI=1S/C15H25N3/c1-13(2)15-5-3-14(4-6-15)11-17-12-18-9-7-16-8-10-18/h3-6,13,16-17H,7-12H2,1-2H3
InChIKeyBEZPAMQJEZWTOD-UHFFFAOYSA-N
XLogP1.76
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperazin-1-ylmethyl)-1-(4-propylphenyl)methanamine
CID 115229974
1-[2-(4-propan-2-ylphenyl)propyl]piperazine
CID 82295556
1-[2-(4-propan-2-ylphenyl)ethyl]-1,4-diazepane
CID 82086321
1-(3-chloro-4-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine
CID 115229969
5-[(piperazin-1-ylmethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115230015
2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 80695833
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458
N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine
CID 115226785
2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride
CID 2995241
1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine
CID 95477555

Frequently Asked Questions

What is the IUPAC name of N-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of N-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)methanamine (CID 115229953) is N-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for N-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for N-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)methanamine is CC(C)c1ccc(CNCN2CCNCC2)cc1.
What is the InChIKey of N-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is BEZPAMQJEZWTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13(2)15-5-3-14(4-6-15)11-17-12-18-9-7-16-8-10-18/h3-6,13,16-17H,7-12H2,1-2H3.
What are the key properties of N-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)methanamine?
N-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 247.39 g/mol, XLogP of 1.76, 5 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-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 115229953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).