1-[1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride

C18H29Cl2N3O2 — CID 120967766

IUPAC1-[1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
SMILESCCOc1c(Cl)cc(CN2CCC(N3CCNCC3)C2)cc1OC.Cl
InChIInChI=1S/C18H28ClN3O2.ClH/c1-3-24-18-16(19)10-14(11-17(18)23-2)12-21-7-4-15(13-21)22-8-5-20-6-9-22;/h10-11,15,20H,3-9,12-13H2,1-2H3;1H
InChIKeyRWYVBTYWEFWNOZ-UHFFFAOYSA-N
MW390.36 g/mol
LogP2.65
Rot. Bonds6

About 1-[1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride

1-[1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride (PubChem CID 120967766) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is 1-[1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
PubChem CID120967766
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC Name1-[1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
SMILESCCOc1c(Cl)cc(CN2CCC(N3CCNCC3)C2)cc1OC.Cl
InChIInChI=1S/C18H28ClN3O2.ClH/c1-3-24-18-16(19)10-14(11-17(18)23-2)12-21-7-4-15(13-21)22-8-5-20-6-9-22;/h10-11,15,20H,3-9,12-13H2,1-2H3;1H
InChIKeyRWYVBTYWEFWNOZ-UHFFFAOYSA-N
XLogP2.65
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9aR)-2-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 97157855
1-[1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968570
1-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine
CID 120968478
1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967904
1-[1-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]piperazine
CID 120968049
1-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967858
1-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968141
1-[1-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine
CID 120967797
1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968330
methyl 2-[2,6-dimethyl-4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetate;hydrochloride
CID 120967453
(3-chloro-5-methoxy-4-propoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120998089
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-chloro-4-ethoxy-5-methoxyphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
The IUPAC name of 1-[1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride (CID 120967766) is 1-[1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride.
What is the SMILES notation for 1-[1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
The canonical SMILES for 1-[1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride is CCOc1c(Cl)cc(CN2CCC(N3CCNCC3)C2)cc1OC.Cl.
What is the InChIKey of 1-[1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
The InChIKey is RWYVBTYWEFWNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O2.ClH/c1-3-24-18-16(19)10-14(11-17(18)23-2)12-21-7-4-15(13-21)22-8-5-20-6-9-22;/h10-11,15,20H,3-9,12-13H2,1-2H3;1H.
What are the key properties of 1-[1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
1-[1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride has a molecular weight of 390.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride is sourced from PubChem (CID 120967766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).