(2S)-4-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenyl)-1-methylpiperazine

C19H31N3O — CID 125017271

IUPAC(2S)-4-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenyl)-1-methylpiperazine
SMILESCCN1CCC(N2CCN(C)[C@@H](c3ccccc3OC)C2)CC1
InChIInChI=1S/C19H31N3O/c1-4-21-11-9-16(10-12-21)22-14-13-20(2)18(15-22)17-7-5-6-8-19(17)23-3/h5-8,16,18H,4,9-15H2,1-3H3/t18-/m1/s1
InChIKeyXGHQRDUANOXINC-GOSISDBHSA-N
MW317.48 g/mol
LogP2.47
Rot. Bonds4

About (2S)-4-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenyl)-1-methylpiperazine

(2S)-4-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenyl)-1-methylpiperazine (PubChem CID 125017271) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is (2S)-4-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenyl)-1-methylpiperazine.

Molecular Properties

Compound Name(2S)-4-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenyl)-1-methylpiperazine
PubChem CID125017271
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name(2S)-4-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenyl)-1-methylpiperazine
SMILESCCN1CCC(N2CCN(C)[C@@H](c3ccccc3OC)C2)CC1
InChIInChI=1S/C19H31N3O/c1-4-21-11-9-16(10-12-21)22-14-13-20(2)18(15-22)17-7-5-6-8-19(17)23-3/h5-8,16,18H,4,9-15H2,1-3H3/t18-/m1/s1
InChIKeyXGHQRDUANOXINC-GOSISDBHSA-N
XLogP2.47
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethylsulfonyl-2-(2-methoxyphenyl)-1-methylpiperazine
CID 110293209
N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293203
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293137
2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 23287971
2-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pyrimidine
CID 110258059
2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pentan-1-one
CID 110293138
4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
1-cyclopentyl-3-(2-methoxyphenyl)pyrrolidine
CID 86814277
2-(2-methoxyphenyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine
CID 110096855
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 110293139

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenyl)-1-methylpiperazine?
The IUPAC name of (2S)-4-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenyl)-1-methylpiperazine (CID 125017271) is (2S)-4-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenyl)-1-methylpiperazine.
What is the SMILES notation for (2S)-4-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenyl)-1-methylpiperazine?
The canonical SMILES for (2S)-4-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenyl)-1-methylpiperazine is CCN1CCC(N2CCN(C)[C@@H](c3ccccc3OC)C2)CC1.
What is the InChIKey of (2S)-4-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenyl)-1-methylpiperazine?
The InChIKey is XGHQRDUANOXINC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H31N3O/c1-4-21-11-9-16(10-12-21)22-14-13-20(2)18(15-22)17-7-5-6-8-19(17)23-3/h5-8,16,18H,4,9-15H2,1-3H3/t18-/m1/s1.
What are the key properties of (2S)-4-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenyl)-1-methylpiperazine?
(2S)-4-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenyl)-1-methylpiperazine has a molecular weight of 317.48 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenyl)-1-methylpiperazine is sourced from PubChem (CID 125017271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).