1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride

C17H26ClF2N3O2 — CID 120967904

IUPAC1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
SMILESCOc1ccc(CN2CCC(N3CCNCC3)C2)cc1OC(F)F.Cl
InChIInChI=1S/C17H25F2N3O2.ClH/c1-23-15-3-2-13(10-16(15)24-17(18)19)11-21-7-4-14(12-21)22-8-5-20-6-9-22;/h2-3,10,14,17,20H,4-9,11-12H2,1H3;1H
InChIKeyAQGCGHKPRZPBNE-UHFFFAOYSA-N
MW377.86 g/mol
LogP2.20
Rot. Bonds6

About 1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride

1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride (PubChem CID 120967904) has the molecular formula C17H26ClF2N3O2 and a molecular weight of 377.86 g/mol. Its IUPAC name is 1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
PubChem CID120967904
Molecular FormulaC17H26ClF2N3O2
Molecular Weight377.86 g/mol
Exact Mass377.17
IUPAC Name1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
SMILESCOc1ccc(CN2CCC(N3CCNCC3)C2)cc1OC(F)F.Cl
InChIInChI=1S/C17H25F2N3O2.ClH/c1-23-15-3-2-13(10-16(15)24-17(18)19)11-21-7-4-14(12-21)22-8-5-20-6-9-22;/h2-3,10,14,17,20H,4-9,11-12H2,1H3;1H
InChIKeyAQGCGHKPRZPBNE-UHFFFAOYSA-N
XLogP2.20
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.86
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine
CID 120967797
1-[1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968570
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine
CID 115299969
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylpiperazine
CID 65416136
1-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine
CID 120968478
1-[1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]pyrrolidin-3-yl]piperazine
CID 120967554
1-[1-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]piperazine
CID 120968049
1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975538
2-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728608
1-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968141
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylpiperazine
CID 63862972
N-ethyl-2-[2-methoxy-4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetamide
CID 120968045

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
The IUPAC name of 1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride (CID 120967904) is 1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride.
What is the SMILES notation for 1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
The canonical SMILES for 1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride is COc1ccc(CN2CCC(N3CCNCC3)C2)cc1OC(F)F.Cl.
What is the InChIKey of 1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
The InChIKey is AQGCGHKPRZPBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O2.ClH/c1-23-15-3-2-13(10-16(15)24-17(18)19)11-21-7-4-14(12-21)22-8-5-20-6-9-22;/h2-3,10,14,17,20H,4-9,11-12H2,1H3;1H.
What are the key properties of 1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride has a molecular weight of 377.86 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride is sourced from PubChem (CID 120967904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).