(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine

C13H20N2O — CID 66524664

IUPAC(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
SMILESCOc1ccc(CN2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C13H20N2O/c1-11-9-15(8-7-14-11)10-12-3-5-13(16-2)6-4-12/h3-6,11,14H,7-10H2,1-2H3/t11-/m0/s1
InChIKeyRCSFCAZDZFHPPE-NSHDSACASA-N
MW220.32 g/mol
LogP1.49
Rot. Bonds3

About (3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine

(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine (PubChem CID 66524664) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
PubChem CID66524664
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
SMILESCOc1ccc(CN2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C13H20N2O/c1-11-9-15(8-7-14-11)10-12-3-5-13(16-2)6-4-12/h3-6,11,14H,7-10H2,1-2H3/t11-/m0/s1
InChIKeyRCSFCAZDZFHPPE-NSHDSACASA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 86328502
(3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 168510109
1-[(3-chloro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 65419171
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
(3S)-1-[(4-methoxy-3-methylphenyl)methyl]-3-methylpiperazine
CID 95450816
(3S)-1-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperazine
CID 120845778
(3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 95449204
(3S)-1-[(2-ethyl-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 120845894
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 64834581
(3R)-1-[(2-bromo-5-methoxyphenyl)methyl]-3-methylpiperazine
CID 113345867
(3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 120615750

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine?
The IUPAC name of (3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine (CID 66524664) is (3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine.
What is the SMILES notation for (3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine?
The canonical SMILES for (3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine is COc1ccc(CN2CCN[C@@H](C)C2)cc1.
What is the InChIKey of (3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine?
The InChIKey is RCSFCAZDZFHPPE-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-9-15(8-7-14-11)10-12-3-5-13(16-2)6-4-12/h3-6,11,14H,7-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine?
(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine has a molecular weight of 220.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine is sourced from PubChem (CID 66524664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).