(2R)-2-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethylpiperazine

C18H28FN3 — CID 86567576

IUPAC(2R)-2-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethylpiperazine
SMILESCN1CCN(C)[C@H](CCN2CC[C@H](c3ccc(F)cc3)C2)C1
InChIInChI=1S/C18H28FN3/c1-20-11-12-21(2)18(14-20)8-10-22-9-7-16(13-22)15-3-5-17(19)6-4-15/h3-6,16,18H,7-14H2,1-2H3/t16-,18+/m0/s1
InChIKeyCWUVXNOWKCDEGI-FUHWJXTLSA-N
MW305.44 g/mol
LogP2.25
Rot. Bonds4

About (2R)-2-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethylpiperazine

(2R)-2-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethylpiperazine (PubChem CID 86567576) has the molecular formula C18H28FN3 and a molecular weight of 305.44 g/mol. Its IUPAC name is (2R)-2-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethylpiperazine.

Molecular Properties

Compound Name(2R)-2-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethylpiperazine
PubChem CID86567576
Molecular FormulaC18H28FN3
Molecular Weight305.44 g/mol
Exact Mass305.23
IUPAC Name(2R)-2-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethylpiperazine
SMILESCN1CCN(C)[C@H](CCN2CC[C@H](c3ccc(F)cc3)C2)C1
InChIInChI=1S/C18H28FN3/c1-20-11-12-21(2)18(14-20)8-10-22-9-7-16(13-22)15-3-5-17(19)6-4-15/h3-6,16,18H,7-14H2,1-2H3/t16-,18+/m0/s1
InChIKeyCWUVXNOWKCDEGI-FUHWJXTLSA-N
XLogP2.25
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethylpiperazine?
The IUPAC name of (2R)-2-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethylpiperazine (CID 86567576) is (2R)-2-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethylpiperazine.
What is the SMILES notation for (2R)-2-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethylpiperazine?
The canonical SMILES for (2R)-2-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethylpiperazine is CN1CCN(C)[C@H](CCN2CC[C@H](c3ccc(F)cc3)C2)C1.
What is the InChIKey of (2R)-2-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethylpiperazine?
The InChIKey is CWUVXNOWKCDEGI-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H28FN3/c1-20-11-12-21(2)18(14-20)8-10-22-9-7-16(13-22)15-3-5-17(19)6-4-15/h3-6,16,18H,7-14H2,1-2H3/t16-,18+/m0/s1.
What are the key properties of (2R)-2-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethylpiperazine?
(2R)-2-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethylpiperazine has a molecular weight of 305.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethylpiperazine is sourced from PubChem (CID 86567576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).