(1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine

C14H22FN3 — CID 79658920

IUPAC(1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCc1ccc(F)cc1C(N)C1CN(C)CCN1C
InChIInChI=1S/C14H22FN3/c1-10-4-5-11(15)8-12(10)14(16)13-9-17(2)6-7-18(13)3/h4-5,8,13-14H,6-7,9,16H2,1-3H3
InChIKeyPBDMDPGOXQQUMA-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.38
Rot. Bonds2

About (1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine

(1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine (PubChem CID 79658920) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is (1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine
PubChem CID79658920
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name(1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCc1ccc(F)cc1C(N)C1CN(C)CCN1C
InChIInChI=1S/C14H22FN3/c1-10-4-5-11(15)8-12(10)14(16)13-9-17(2)6-7-18(13)3/h4-5,8,13-14H,6-7,9,16H2,1-3H3
InChIKeyPBDMDPGOXQQUMA-UHFFFAOYSA-N
XLogP1.38
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,4-dimethylpiperazin-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881778
2-(1,4-dimethylpiperazin-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 115414890
1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374270
1-(2,4-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 79659009
(1,4-dimethylpiperazin-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 79659157
(4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine
CID 79658672
[2-(2,5-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247218
(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433840
(1,4-dimethylpiperazin-2-yl)-thiophen-3-ylmethanamine
CID 79659584
2-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
CID 114075463
2-fluoro-1-(5-fluoro-2-methylphenyl)ethanamine
CID 130059756
[1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105261332

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine?
The IUPAC name of (1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine (CID 79658920) is (1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for (1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for (1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine is Cc1ccc(F)cc1C(N)C1CN(C)CCN1C.
What is the InChIKey of (1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine?
The InChIKey is PBDMDPGOXQQUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-10-4-5-11(15)8-12(10)14(16)13-9-17(2)6-7-18(13)3/h4-5,8,13-14H,6-7,9,16H2,1-3H3.
What are the key properties of (1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine?
(1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine has a molecular weight of 251.35 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 79658920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).