1-methyl-4-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]piperazine

C23H31N3O — CID 74248786

IUPAC1-methyl-4-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]piperazine
SMILESCN1CCN(C2CCN(Cc3cccc(OCc4ccccc4)c3)C2)CC1
InChIInChI=1S/C23H31N3O/c1-24-12-14-26(15-13-24)22-10-11-25(18-22)17-21-8-5-9-23(16-21)27-19-20-6-3-2-4-7-20/h2-9,16,22H,10-15,17-19H2,1H3
InChIKeyGXTTWWGMTLKJGW-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.09
Rot. Bonds6

About 1-methyl-4-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]piperazine

1-methyl-4-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]piperazine (PubChem CID 74248786) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-methyl-4-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]piperazine
PubChem CID74248786
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name1-methyl-4-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]piperazine
SMILESCN1CCN(C2CCN(Cc3cccc(OCc4ccccc4)c3)C2)CC1
InChIInChI=1S/C23H31N3O/c1-24-12-14-26(15-13-24)22-10-11-25(18-22)17-21-8-5-9-23(16-21)27-19-20-6-3-2-4-7-20/h2-9,16,22H,10-15,17-19H2,1H3
InChIKeyGXTTWWGMTLKJGW-UHFFFAOYSA-N
XLogP3.09
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-yl]-4-ethylpiperazine
CID 124516544
N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine
CID 119905641
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 126786698
1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910073
3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 120776218
4-[2-[3-[[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]phenoxy]ethyl]morpholine
CID 99926332
(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol
CID 131850383
(3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine
CID 28784062
2-[4-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 77080885
2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042919
1-methyl-4-[(7-phenylmethoxynaphthalen-2-yl)methyl]piperazine
CID 138106389

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]piperazine?
The IUPAC name of 1-methyl-4-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]piperazine (CID 74248786) is 1-methyl-4-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-methyl-4-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]piperazine is CN1CCN(C2CCN(Cc3cccc(OCc4ccccc4)c3)C2)CC1.
What is the InChIKey of 1-methyl-4-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]piperazine?
The InChIKey is GXTTWWGMTLKJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-24-12-14-26(15-13-24)22-10-11-25(18-22)17-21-8-5-9-23(16-21)27-19-20-6-3-2-4-7-20/h2-9,16,22H,10-15,17-19H2,1H3.
What are the key properties of 1-methyl-4-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]piperazine?
1-methyl-4-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]piperazine has a molecular weight of 365.52 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]piperazine is sourced from PubChem (CID 74248786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).