1-[1-[3-(3,4-dichlorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethyl]-4-phenylpiperidin-4-ol;dihydrochloride

C32H40Cl4N2O2 — CID 67634992

IUPAC1-[1-[3-(3,4-dichlorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethyl]-4-phenylpiperidin-4-ol;dihydrochloride
SMILESCOc1cccc(CN2CCCC(c3ccc(Cl)c(Cl)c3)C2C(C)N2CCC(O)(c3ccccc3)CC2)c1.Cl.Cl
InChIInChI=1S/C32H38Cl2N2O2.2ClH/c1-23(35-18-15-32(37,16-19-35)26-9-4-3-5-10-26)31-28(25-13-14-29(33)30(34)21-25)12-7-17-36(31)22-24-8-6-11-27(20-24)38-2;;/h3-6,8-11,13-14,20-21,23,28,31,37H,7,12,15-19,22H2,1-2H3;2*1H
InChIKeySSXFRAREALWYFE-UHFFFAOYSA-N
MW626.50 g/mol
LogP7.97
Rot. Bonds7

About 1-[1-[3-(3,4-dichlorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethyl]-4-phenylpiperidin-4-ol;dihydrochloride

1-[1-[3-(3,4-dichlorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethyl]-4-phenylpiperidin-4-ol;dihydrochloride (PubChem CID 67634992) has the molecular formula C32H40Cl4N2O2 and a molecular weight of 626.50 g/mol. Its IUPAC name is 1-[1-[3-(3,4-dichlorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethyl]-4-phenylpiperidin-4-ol;dihydrochloride.

Molecular Properties

Compound Name1-[1-[3-(3,4-dichlorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethyl]-4-phenylpiperidin-4-ol;dihydrochloride
PubChem CID67634992
Molecular FormulaC32H40Cl4N2O2
Molecular Weight626.50 g/mol
Exact Mass624.18
IUPAC Name1-[1-[3-(3,4-dichlorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethyl]-4-phenylpiperidin-4-ol;dihydrochloride
SMILESCOc1cccc(CN2CCCC(c3ccc(Cl)c(Cl)c3)C2C(C)N2CCC(O)(c3ccccc3)CC2)c1.Cl.Cl
InChIInChI=1S/C32H38Cl2N2O2.2ClH/c1-23(35-18-15-32(37,16-19-35)26-9-4-3-5-10-26)31-28(25-13-14-29(33)30(34)21-25)12-7-17-36(31)22-24-8-6-11-27(20-24)38-2;;/h3-6,8-11,13-14,20-21,23,28,31,37H,7,12,15-19,22H2,1-2H3;2*1H
InChIKeySSXFRAREALWYFE-UHFFFAOYSA-N
XLogP7.97
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.50
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-N-methyl-2-(3-propan-2-yloxyphenyl)acetamide
CID 15434908
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CID 122138322
(1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol
CID 95342192
4-(3-chloro-4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-ol
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2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61369953
2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
CID 134001112
4-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
CID 95611782
1-[3-(3,4-dichlorophenyl)-4-(ethylamino)butan-2-yl]-4-phenylpiperidin-4-ol;hydrochloride
CID 67824870
(2S)-2-(4-chloro-1-methylpyrazol-5-yl)-1-[(3-methoxyphenyl)methyl]azepane
CID 92565979
2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 63386922
4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
CID 1446411
(2S)-2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1,3-diazinane
CID 92569496

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(3,4-dichlorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethyl]-4-phenylpiperidin-4-ol;dihydrochloride?
The IUPAC name of 1-[1-[3-(3,4-dichlorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethyl]-4-phenylpiperidin-4-ol;dihydrochloride (CID 67634992) is 1-[1-[3-(3,4-dichlorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethyl]-4-phenylpiperidin-4-ol;dihydrochloride.
What is the SMILES notation for 1-[1-[3-(3,4-dichlorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethyl]-4-phenylpiperidin-4-ol;dihydrochloride?
The canonical SMILES for 1-[1-[3-(3,4-dichlorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethyl]-4-phenylpiperidin-4-ol;dihydrochloride is COc1cccc(CN2CCCC(c3ccc(Cl)c(Cl)c3)C2C(C)N2CCC(O)(c3ccccc3)CC2)c1.Cl.Cl.
What is the InChIKey of 1-[1-[3-(3,4-dichlorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethyl]-4-phenylpiperidin-4-ol;dihydrochloride?
The InChIKey is SSXFRAREALWYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38Cl2N2O2.2ClH/c1-23(35-18-15-32(37,16-19-35)26-9-4-3-5-10-26)31-28(25-13-14-29(33)30(34)21-25)12-7-17-36(31)22-24-8-6-11-27(20-24)38-2;;/h3-6,8-11,13-14,20-21,23,28,31,37H,7,12,15-19,22H2,1-2H3;2*1H.
What are the key properties of 1-[1-[3-(3,4-dichlorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethyl]-4-phenylpiperidin-4-ol;dihydrochloride?
1-[1-[3-(3,4-dichlorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethyl]-4-phenylpiperidin-4-ol;dihydrochloride has a molecular weight of 626.50 g/mol, XLogP of 7.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(3,4-dichlorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethyl]-4-phenylpiperidin-4-ol;dihydrochloride is sourced from PubChem (CID 67634992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).