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

C17H28ClN3O — CID 120897429

IUPAC1-(3-methoxyphenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
SMILESCOc1cccc(N2CCN(CC3(C)CCNC3)CC2)c1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-17(6-7-18-13-17)14-19-8-10-20(11-9-19)15-4-3-5-16(12-15)21-2;/h3-5,12,18H,6-11,13-14H2,1-2H3;1H
InChIKeyYYPNNAFAYWERJX-UHFFFAOYSA-N
MW325.88 g/mol
LogP2.24
Rot. Bonds4

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

1-(3-methoxyphenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride (PubChem CID 120897429) has the molecular formula C17H28ClN3O and a molecular weight of 325.88 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
PubChem CID120897429
Molecular FormulaC17H28ClN3O
Molecular Weight325.88 g/mol
Exact Mass325.19
IUPAC Name1-(3-methoxyphenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
SMILESCOc1cccc(N2CCN(CC3(C)CCNC3)CC2)c1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-17(6-7-18-13-17)14-19-8-10-20(11-9-19)15-4-3-5-16(12-15)21-2;/h3-5,12,18H,6-11,13-14H2,1-2H3;1H
InChIKeyYYPNNAFAYWERJX-UHFFFAOYSA-N
XLogP2.24
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane
CID 82484817
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
2-(3-methoxyphenyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120903631
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(2-nitrophenyl)piperazine;hydrochloride
CID 120897398
1-[(3-ethylpyrrolidin-3-yl)methyl]-4-(3-methylphenyl)piperazine
CID 63142322
1-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120898158
1-(3-methoxyphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine
CID 63715014
1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyridazin-3-yl-1,4-diazepane;hydrochloride
CID 120900106
4-(methoxymethyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
CID 120904295
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-(3-methoxyphenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride (CID 120897429) is 1-(3-methoxyphenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-(3-methoxyphenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride is COc1cccc(N2CCN(CC3(C)CCNC3)CC2)c1.Cl.
What is the InChIKey of 1-(3-methoxyphenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride?
The InChIKey is YYPNNAFAYWERJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.ClH/c1-17(6-7-18-13-17)14-19-8-10-20(11-9-19)15-4-3-5-16(12-15)21-2;/h3-5,12,18H,6-11,13-14H2,1-2H3;1H.
What are the key properties of 1-(3-methoxyphenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride?
1-(3-methoxyphenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120897429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).