(2R)-1-[(4-methoxy-3-prop-2-enylphenyl)methyl]-2-methylpiperazine

C16H24N2O — CID 126435859

IUPAC(2R)-1-[(4-methoxy-3-prop-2-enylphenyl)methyl]-2-methylpiperazine
SMILESC=CCc1cc(CN2CCNC[C@H]2C)ccc1OC
InChIInChI=1S/C16H24N2O/c1-4-5-15-10-14(6-7-16(15)19-3)12-18-9-8-17-11-13(18)2/h4,6-7,10,13,17H,1,5,8-9,11-12H2,2-3H3/t13-/m1/s1
InChIKeyGXSPDMMXNPFJRE-CYBMUJFWSA-N
MW260.38 g/mol
LogP2.22
Rot. Bonds5

About (2R)-1-[(4-methoxy-3-prop-2-enylphenyl)methyl]-2-methylpiperazine

(2R)-1-[(4-methoxy-3-prop-2-enylphenyl)methyl]-2-methylpiperazine (PubChem CID 126435859) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2R)-1-[(4-methoxy-3-prop-2-enylphenyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-[(4-methoxy-3-prop-2-enylphenyl)methyl]-2-methylpiperazine
PubChem CID126435859
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2R)-1-[(4-methoxy-3-prop-2-enylphenyl)methyl]-2-methylpiperazine
SMILESC=CCc1cc(CN2CCNC[C@H]2C)ccc1OC
InChIInChI=1S/C16H24N2O/c1-4-5-15-10-14(6-7-16(15)19-3)12-18-9-8-17-11-13(18)2/h4,6-7,10,13,17H,1,5,8-9,11-12H2,2-3H3/t13-/m1/s1
InChIKeyGXSPDMMXNPFJRE-CYBMUJFWSA-N
XLogP2.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(4-methoxy-3-prop-2-enylphenyl)methyl]-2-methyl-1,4-diazepan-5-one
CID 95195109
1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine
CID 82299031
(2S)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpiperazine
CID 82755517
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-1,4-diazepane
CID 82303795
(2S)-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methylpiperazine
CID 82714108
1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 62673685
(2R)-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 82755826
(2R)-1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-methylpiperazine
CID 95212131
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine
CID 120767579
(2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride
CID 120839112
1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperazine;hydrochloride
CID 119916469

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-methoxy-3-prop-2-enylphenyl)methyl]-2-methylpiperazine?
The IUPAC name of (2R)-1-[(4-methoxy-3-prop-2-enylphenyl)methyl]-2-methylpiperazine (CID 126435859) is (2R)-1-[(4-methoxy-3-prop-2-enylphenyl)methyl]-2-methylpiperazine.
What is the SMILES notation for (2R)-1-[(4-methoxy-3-prop-2-enylphenyl)methyl]-2-methylpiperazine?
The canonical SMILES for (2R)-1-[(4-methoxy-3-prop-2-enylphenyl)methyl]-2-methylpiperazine is C=CCc1cc(CN2CCNC[C@H]2C)ccc1OC.
What is the InChIKey of (2R)-1-[(4-methoxy-3-prop-2-enylphenyl)methyl]-2-methylpiperazine?
The InChIKey is GXSPDMMXNPFJRE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-5-15-10-14(6-7-16(15)19-3)12-18-9-8-17-11-13(18)2/h4,6-7,10,13,17H,1,5,8-9,11-12H2,2-3H3/t13-/m1/s1.
What are the key properties of (2R)-1-[(4-methoxy-3-prop-2-enylphenyl)methyl]-2-methylpiperazine?
(2R)-1-[(4-methoxy-3-prop-2-enylphenyl)methyl]-2-methylpiperazine has a molecular weight of 260.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-methoxy-3-prop-2-enylphenyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 126435859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).