1-[[5-[2-(4-chlorophenyl)ethoxy]-1-(cyclopropylmethyl)indol-3-yl]methyl]piperidin-4-ol

C26H31ClN2O2 — CID 134108064

IUPAC1-[[5-[2-(4-chlorophenyl)ethoxy]-1-(cyclopropylmethyl)indol-3-yl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2cn(CC3CC3)c3ccc(OCCc4ccc(Cl)cc4)cc23)CC1
InChIInChI=1S/C26H31ClN2O2/c27-22-5-3-19(4-6-22)11-14-31-24-7-8-26-25(15-24)21(18-29(26)16-20-1-2-20)17-28-12-9-23(30)10-13-28/h3-8,15,18,20,23,30H,1-2,9-14,16-17H2
InChIKeyWVAUSDKPNHGHFU-UHFFFAOYSA-N
MW439.00 g/mol
LogP5.28
Rot. Bonds8

About 1-[[5-[2-(4-chlorophenyl)ethoxy]-1-(cyclopropylmethyl)indol-3-yl]methyl]piperidin-4-ol

1-[[5-[2-(4-chlorophenyl)ethoxy]-1-(cyclopropylmethyl)indol-3-yl]methyl]piperidin-4-ol (PubChem CID 134108064) has the molecular formula C26H31ClN2O2 and a molecular weight of 439.00 g/mol. Its IUPAC name is 1-[[5-[2-(4-chlorophenyl)ethoxy]-1-(cyclopropylmethyl)indol-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[5-[2-(4-chlorophenyl)ethoxy]-1-(cyclopropylmethyl)indol-3-yl]methyl]piperidin-4-ol
PubChem CID134108064
Molecular FormulaC26H31ClN2O2
Molecular Weight439.00 g/mol
Exact Mass438.21
IUPAC Name1-[[5-[2-(4-chlorophenyl)ethoxy]-1-(cyclopropylmethyl)indol-3-yl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2cn(CC3CC3)c3ccc(OCCc4ccc(Cl)cc4)cc23)CC1
InChIInChI=1S/C26H31ClN2O2/c27-22-5-3-19(4-6-22)11-14-31-24-7-8-26-25(15-24)21(18-29(26)16-20-1-2-20)17-28-12-9-23(30)10-13-28/h3-8,15,18,20,23,30H,1-2,9-14,16-17H2
InChIKeyWVAUSDKPNHGHFU-UHFFFAOYSA-N
XLogP5.28
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.00
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[5-[2-(4-chlorophenyl)ethoxy]-1-(cyclopropylmethyl)indol-3-yl]methyl]piperidin-4-ol with MolForge

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Related Compounds

1-[[1-[(5-chlorothiophen-2-yl)methyl]-5-[2-(4-methoxyphenyl)ethoxy]indol-3-yl]methyl]piperidin-4-ol
CID 134107829
1-[[5-cyclopentyloxy-1-(cyclopropylmethyl)indol-3-yl]methyl]piperidin-4-ol
CID 134108061
1-[[5-but-2-ynoxy-1-(2-cyclohexylethyl)indol-3-yl]methyl]piperidin-4-ol
CID 134108071
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
1-[[5-but-2-ynoxy-1-(3-methylbutyl)indol-3-yl]methyl]piperidin-4-ol
CID 134108065
1-[[5-cyclopentyloxy-1-[(2,6-difluorophenyl)methyl]indol-3-yl]methyl]piperidin-4-ol
CID 134108056
tert-butyl 4-[3-[4-[5-(4-chlorophenoxy)-1-(cyclopropylmethyl)indole-3-carbonyl]phenoxy]propyl]piperazine-1-carboxylate
CID 85470460
1-[[6-[3-(4-chlorophenyl)propoxy]naphthalen-2-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 66853150
methyl 2-[4-[(4-chlorophenyl)methoxy]-3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]acetate
CID 68844211
[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 92589969
5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(fluoromethoxy)phenyl]-1-(piperidin-4-ylmethyl)indole
CID 129200856
4-[(4-chlorophenoxy)methyl]-1-(cyclopropylmethyl)piperidine
CID 10381019

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[2-(4-chlorophenyl)ethoxy]-1-(cyclopropylmethyl)indol-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[5-[2-(4-chlorophenyl)ethoxy]-1-(cyclopropylmethyl)indol-3-yl]methyl]piperidin-4-ol (CID 134108064) is 1-[[5-[2-(4-chlorophenyl)ethoxy]-1-(cyclopropylmethyl)indol-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[5-[2-(4-chlorophenyl)ethoxy]-1-(cyclopropylmethyl)indol-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[5-[2-(4-chlorophenyl)ethoxy]-1-(cyclopropylmethyl)indol-3-yl]methyl]piperidin-4-ol is OC1CCN(Cc2cn(CC3CC3)c3ccc(OCCc4ccc(Cl)cc4)cc23)CC1.
What is the InChIKey of 1-[[5-[2-(4-chlorophenyl)ethoxy]-1-(cyclopropylmethyl)indol-3-yl]methyl]piperidin-4-ol?
The InChIKey is WVAUSDKPNHGHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN2O2/c27-22-5-3-19(4-6-22)11-14-31-24-7-8-26-25(15-24)21(18-29(26)16-20-1-2-20)17-28-12-9-23(30)10-13-28/h3-8,15,18,20,23,30H,1-2,9-14,16-17H2.
What are the key properties of 1-[[5-[2-(4-chlorophenyl)ethoxy]-1-(cyclopropylmethyl)indol-3-yl]methyl]piperidin-4-ol?
1-[[5-[2-(4-chlorophenyl)ethoxy]-1-(cyclopropylmethyl)indol-3-yl]methyl]piperidin-4-ol has a molecular weight of 439.00 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[2-(4-chlorophenyl)ethoxy]-1-(cyclopropylmethyl)indol-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 134108064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).