1-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidine

C25H34N2O3 — CID 174930098

IUPAC1-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidine
SMILESCOc1ccc(C2CCN([C@@H]3CCN(Cc4ccc(OC)c(OC)c4)C3)CC2)cc1
InChIInChI=1S/C25H34N2O3/c1-28-23-7-5-20(6-8-23)21-10-14-27(15-11-21)22-12-13-26(18-22)17-19-4-9-24(29-2)25(16-19)30-3/h4-9,16,21-22H,10-15,17-18H2,1-3H3/t22-/m1/s1
InChIKeySHYGVNMJNNWEGN-JOCHJYFZSA-N
MW410.56 g/mol
LogP4.17
Rot. Bonds7

About 1-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidine

1-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidine (PubChem CID 174930098) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidine.

Molecular Properties

Compound Name1-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidine
PubChem CID174930098
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name1-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidine
SMILESCOc1ccc(C2CCN([C@@H]3CCN(Cc4ccc(OC)c(OC)c4)C3)CC2)cc1
InChIInChI=1S/C25H34N2O3/c1-28-23-7-5-20(6-8-23)21-10-14-27(15-11-21)22-12-13-26(18-22)17-19-4-9-24(29-2)25(16-19)30-3/h4-9,16,21-22H,10-15,17-18H2,1-3H3/t22-/m1/s1
InChIKeySHYGVNMJNNWEGN-JOCHJYFZSA-N
XLogP4.17
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,6R)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 756427
1-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968141
(3R,4R)-1-[(3,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 155492053
1-[1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968570
1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967904
2-methoxy-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 106788215
(3R,4R)-1-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol
CID 174931072
1-[1-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine
CID 120967797
1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]azepane;oxalic acid
CID 2913614
1-[1-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]piperazine
CID 120968049
4-[1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]piperidin-4-yl]phenol
CID 174809872
6,7-dimethoxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 10863641

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidine?
The IUPAC name of 1-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidine (CID 174930098) is 1-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidine.
What is the SMILES notation for 1-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidine?
The canonical SMILES for 1-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidine is COc1ccc(C2CCN([C@@H]3CCN(Cc4ccc(OC)c(OC)c4)C3)CC2)cc1.
What is the InChIKey of 1-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidine?
The InChIKey is SHYGVNMJNNWEGN-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-28-23-7-5-20(6-8-23)21-10-14-27(15-11-21)22-12-13-26(18-22)17-19-4-9-24(29-2)25(16-19)30-3/h4-9,16,21-22H,10-15,17-18H2,1-3H3/t22-/m1/s1.
What are the key properties of 1-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidine?
1-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidine has a molecular weight of 410.56 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidine is sourced from PubChem (CID 174930098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).