1-[(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-ol

C23H31NO5 — CID 9322625

IUPAC1-[(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-ol
SMILESCOc1ccc(C(OC[C@@H](O)CN2CCC(O)CC2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H31NO5/c1-27-21-7-3-17(4-8-21)23(18-5-9-22(28-2)10-6-18)29-16-20(26)15-24-13-11-19(25)12-14-24/h3-10,19-20,23,25-26H,11-16H2,1-2H3/t20-/m0/s1
InChIKeyNJNUBWLIMCVXJL-FQEVSTJZSA-N
MW401.50 g/mol
LogP2.63
Rot. Bonds9

About 1-[(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-ol

1-[(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-ol (PubChem CID 9322625) has the molecular formula C23H31NO5 and a molecular weight of 401.50 g/mol. Its IUPAC name is 1-[(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-ol
PubChem CID9322625
Molecular FormulaC23H31NO5
Molecular Weight401.50 g/mol
Exact Mass401.22
IUPAC Name1-[(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-ol
SMILESCOc1ccc(C(OC[C@@H](O)CN2CCC(O)CC2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H31NO5/c1-27-21-7-3-17(4-8-21)23(18-5-9-22(28-2)10-6-18)29-16-20(26)15-24-13-11-19(25)12-14-24/h3-10,19-20,23,25-26H,11-16H2,1-2H3/t20-/m0/s1
InChIKeyNJNUBWLIMCVXJL-FQEVSTJZSA-N
XLogP2.63
TPSA71.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-3-[2-(azetidin-1-ylmethyl)-4-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 97284935
(2S)-1-[bis(4-chlorophenyl)methoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 7746000
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride
CID 138959584
1-(4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 54944641
(2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol
CID 2321616
(2R)-1-butoxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 30844662
1-[(2S)-3-[2-[[cyclohexyl(methyl)amino]methyl]-4-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 25294395
[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 78849337
1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 60971064
1-[2-hydroxy-3-[4-methoxy-2-[(2-propan-2-yloxyethylamino)methyl]phenoxy]propyl]piperidin-4-ol
CID 45250857
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
CID 55466655
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 8669631

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-ol?
The IUPAC name of 1-[(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-ol (CID 9322625) is 1-[(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-ol?
The canonical SMILES for 1-[(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-ol is COc1ccc(C(OC[C@@H](O)CN2CCC(O)CC2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-ol?
The InChIKey is NJNUBWLIMCVXJL-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H31NO5/c1-27-21-7-3-17(4-8-21)23(18-5-9-22(28-2)10-6-18)29-16-20(26)15-24-13-11-19(25)12-14-24/h3-10,19-20,23,25-26H,11-16H2,1-2H3/t20-/m0/s1.
What are the key properties of 1-[(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-ol?
1-[(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-ol has a molecular weight of 401.50 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-ol is sourced from PubChem (CID 9322625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).