1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine

C30H37N3O2 — CID 2912108

IUPAC1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine
SMILESCOc1cc(CN2CCC(N3CCN(c4ccccc4)CC3)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C30H37N3O2/c1-34-30-22-26(12-13-29(30)35-24-25-8-4-2-5-9-25)23-31-16-14-28(15-17-31)33-20-18-32(19-21-33)27-10-6-3-7-11-27/h2-13,22,28H,14-21,23-24H2,1H3
InChIKeyNJXXNSOOKUDVSA-UHFFFAOYSA-N
MW471.65 g/mol
LogP5.06
Rot. Bonds8

About 1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine

1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine (PubChem CID 2912108) has the molecular formula C30H37N3O2 and a molecular weight of 471.65 g/mol. Its IUPAC name is 1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine
PubChem CID2912108
Molecular FormulaC30H37N3O2
Molecular Weight471.65 g/mol
Exact Mass471.29
IUPAC Name1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine
SMILESCOc1cc(CN2CCC(N3CCN(c4ccccc4)CC3)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C30H37N3O2/c1-34-30-22-26(12-13-29(30)35-24-25-8-4-2-5-9-25)23-31-16-14-28(15-17-31)33-20-18-32(19-21-33)27-10-6-3-7-11-27/h2-13,22,28H,14-21,23-24H2,1H3
InChIKeyNJXXNSOOKUDVSA-UHFFFAOYSA-N
XLogP5.06
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-ylpiperidine
CID 1375678
(2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 7121801
oxalic acid;1-phenyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]piperazine
CID 90484045
4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine
CID 1376263
1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 2846107
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 23724334
[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 3435769
1-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-amine;ethane
CID 142128624
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carbohydrazide
CID 54848264
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 782865
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine;oxalic acid
CID 23724207

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine?
The IUPAC name of 1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine (CID 2912108) is 1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine.
What is the SMILES notation for 1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine?
The canonical SMILES for 1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine is COc1cc(CN2CCC(N3CCN(c4ccccc4)CC3)CC2)ccc1OCc1ccccc1.
What is the InChIKey of 1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine?
The InChIKey is NJXXNSOOKUDVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O2/c1-34-30-22-26(12-13-29(30)35-24-25-8-4-2-5-9-25)23-31-16-14-28(15-17-31)33-20-18-32(19-21-33)27-10-6-3-7-11-27/h2-13,22,28H,14-21,23-24H2,1H3.
What are the key properties of 1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine?
1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine has a molecular weight of 471.65 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine is sourced from PubChem (CID 2912108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).