[1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol

C26H37N3O2 — CID 74810640

IUPAC[1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol
SMILESCOc1cccc(CC2(CO)CCCN(CC3CNNC3c3cc(C)ccc3C)C2)c1
InChIInChI=1S/C26H37N3O2/c1-19-8-9-20(2)24(12-19)25-22(15-27-28-25)16-29-11-5-10-26(17-29,18-30)14-21-6-4-7-23(13-21)31-3/h4,6-9,12-13,22,25,27-28,30H,5,10-11,14-18H2,1-3H3
InChIKeyDKDKKMWZYJZKJA-UHFFFAOYSA-N
MW423.60 g/mol
LogP3.39
Rot. Bonds7

About [1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol

[1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol (PubChem CID 74810640) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is [1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol
PubChem CID74810640
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name[1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol
SMILESCOc1cccc(CC2(CO)CCCN(CC3CNNC3c3cc(C)ccc3C)C2)c1
InChIInChI=1S/C26H37N3O2/c1-19-8-9-20(2)24(12-19)25-22(15-27-28-25)16-29-11-5-10-26(17-29,18-30)14-21-6-4-7-23(13-21)31-3/h4,6-9,12-13,22,25,27-28,30H,5,10-11,14-18H2,1-3H3
InChIKeyDKDKKMWZYJZKJA-UHFFFAOYSA-N
XLogP3.39
TPSA56.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol with MolForge

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Related Compounds

[1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45196442
[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 42591966
2-chloro-4-[[(3R)-3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]methyl]-6-methoxyphenol
CID 25278692
ethyl 1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate
CID 74775207
[3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 23723435
2-[[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 45184745
[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 25488539
1-[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 45218374
2-[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 56758099
[(3S)-3-benzyl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanol
CID 42215033
4-(4-chlorophenyl)-1-[[3-(6-methoxynaphthalen-2-yl)pyrazolidin-4-yl]methyl]piperidin-4-ol
CID 74804644
3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 45217063

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol (CID 74810640) is [1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol is COc1cccc(CC2(CO)CCCN(CC3CNNC3c3cc(C)ccc3C)C2)c1.
What is the InChIKey of [1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is DKDKKMWZYJZKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-19-8-9-20(2)24(12-19)25-22(15-27-28-25)16-29-11-5-10-26(17-29,18-30)14-21-6-4-7-23(13-21)31-3/h4,6-9,12-13,22,25,27-28,30H,5,10-11,14-18H2,1-3H3.
What are the key properties of [1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol?
[1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 423.60 g/mol, XLogP of 3.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 74810640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).