N-methyl-1-(4-methylphenyl)-N-(piperazin-1-ylmethyl)methanamine

C14H23N3 — CID 115230053

IUPACN-methyl-1-(4-methylphenyl)-N-(piperazin-1-ylmethyl)methanamine
SMILESCc1ccc(CN(C)CN2CCNCC2)cc1
InChIInChI=1S/C14H23N3/c1-13-3-5-14(6-4-13)11-16(2)12-17-9-7-15-8-10-17/h3-6,15H,7-12H2,1-2H3
InChIKeyAYUXCXOFURKSMS-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.29
Rot. Bonds4

About N-methyl-1-(4-methylphenyl)-N-(piperazin-1-ylmethyl)methanamine

N-methyl-1-(4-methylphenyl)-N-(piperazin-1-ylmethyl)methanamine (PubChem CID 115230053) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-N-(piperazin-1-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-N-(piperazin-1-ylmethyl)methanamine
PubChem CID115230053
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-methyl-1-(4-methylphenyl)-N-(piperazin-1-ylmethyl)methanamine
SMILESCc1ccc(CN(C)CN2CCNCC2)cc1
InChIInChI=1S/C14H23N3/c1-13-3-5-14(6-4-13)11-16(2)12-17-9-7-15-8-10-17/h3-6,15H,7-12H2,1-2H3
InChIKeyAYUXCXOFURKSMS-UHFFFAOYSA-N
XLogP1.29
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Plerixafor
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Benzathine
CID 8793
1-Benzylpiperazine
CID 75994
1-(3-Fluorobenzyl)piperazine
CID 903813
1-Benzyl-4-methyl-piperazine
CID 763557
1-(4-Fluorobenzyl)piperazine
CID 796563
1-Phenethylpiperazine
CID 79214
1-Benzyl-4-piperidylamine
CID 415852
1-Methyl-3-phenylpiperazine
CID 2760009
1-[4-(Trifluoromethyl)benzyl]piperazine
CID 2782803
N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
N-Benzyl-N-methylpiperidin-4-amine--hydrogen chloride (1/1)
CID 24746773

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-N-(piperazin-1-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-N-(piperazin-1-ylmethyl)methanamine (CID 115230053) is N-methyl-1-(4-methylphenyl)-N-(piperazin-1-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-N-(piperazin-1-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-N-(piperazin-1-ylmethyl)methanamine is Cc1ccc(CN(C)CN2CCNCC2)cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-N-(piperazin-1-ylmethyl)methanamine?
The InChIKey is AYUXCXOFURKSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-13-3-5-14(6-4-13)11-16(2)12-17-9-7-15-8-10-17/h3-6,15H,7-12H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-N-(piperazin-1-ylmethyl)methanamine?
N-methyl-1-(4-methylphenyl)-N-(piperazin-1-ylmethyl)methanamine has a molecular weight of 233.36 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-N-(piperazin-1-ylmethyl)methanamine is sourced from PubChem (CID 115230053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).