4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol

C23H26N2O3 — CID 29404351

IUPAC4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(C[C@@H](O)COc3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C23H26N2O3/c26-21-8-6-20(7-9-21)25-13-11-24(12-14-25)16-22(27)17-28-23-10-5-18-3-1-2-4-19(18)15-23/h1-10,15,22,26-27H,11-14,16-17H2/t22-/m1/s1
InChIKeyCSURCNIPRBSIAA-JOCHJYFZSA-N
MW378.47 g/mol
LogP3.11
Rot. Bonds6

About 4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol

4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol (PubChem CID 29404351) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol
PubChem CID29404351
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(C[C@@H](O)COc3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C23H26N2O3/c26-21-8-6-20(7-9-21)25-13-11-24(12-14-25)16-22(27)17-28-23-10-5-18-3-1-2-4-19(18)15-23/h1-10,15,22,26-27H,11-14,16-17H2/t22-/m1/s1
InChIKeyCSURCNIPRBSIAA-JOCHJYFZSA-N
XLogP3.11
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-1,4-diazepan-1-yl]-3-naphthalen-2-yloxypropan-2-ol
CID 1179349
1-(6-bromonaphthalen-2-yl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2949531
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051
1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride
CID 21237713
1-naphthalen-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3409821
1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21237702
4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol
CID 70254082
hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride
CID 2999607
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 6602971
1-naphthalen-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 24836839
1-[4-(2-hydroxy-3-phenanthren-3-yloxypropyl)piperazin-1-yl]-3-phenanthren-3-yloxypropan-2-ol
CID 4027669
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol (CID 29404351) is 4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol is Oc1ccc(N2CCN(C[C@@H](O)COc3ccc4ccccc4c3)CC2)cc1.
What is the InChIKey of 4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol?
The InChIKey is CSURCNIPRBSIAA-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-21-8-6-20(7-9-21)25-13-11-24(12-14-25)16-22(27)17-28-23-10-5-18-3-1-2-4-19(18)15-23/h1-10,15,22,26-27H,11-14,16-17H2/t22-/m1/s1.
What are the key properties of 4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol?
4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol has a molecular weight of 378.47 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol is sourced from PubChem (CID 29404351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).