4-[(1R)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-1-ol

C19H26N2O2 — CID 171190699

IUPAC4-[(1R)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-1-ol
SMILESCC(C)(CO)[C@@H](c1ccc(O)c2ccccc12)N1CCNCC1
InChIInChI=1S/C19H26N2O2/c1-19(2,13-22)18(21-11-9-20-10-12-21)16-7-8-17(23)15-6-4-3-5-14(15)16/h3-8,18,20,22-23H,9-13H2,1-2H3/t18-/m1/s1
InChIKeyNRRCMKOPOCPXFF-GOSISDBHSA-N
MW314.43 g/mol
LogP2.51
Rot. Bonds4

About 4-[(1R)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-1-ol

4-[(1R)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-1-ol (PubChem CID 171190699) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-[(1R)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(1R)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-1-ol
PubChem CID171190699
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name4-[(1R)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-1-ol
SMILESCC(C)(CO)[C@@H](c1ccc(O)c2ccccc12)N1CCNCC1
InChIInChI=1S/C19H26N2O2/c1-19(2,13-22)18(21-11-9-20-10-12-21)16-7-8-17(23)15-6-4-3-5-14(15)16/h3-8,18,20,22-23H,9-13H2,1-2H3/t18-/m1/s1
InChIKeyNRRCMKOPOCPXFF-GOSISDBHSA-N
XLogP2.51
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride
CID 171180287
2-[(1R)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-methylphenol
CID 171189973
4-[(1R)-1-piperazin-1-ylethyl]naphthalen-1-ol
CID 171292379
4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride
CID 171183518
(3S)-3-anthracen-9-yl-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189797
(3R)-3-anthracen-9-yl-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171190386
(3S)-3-(2-tert-butylsulfanylphenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171190872
(3R)-3-(2,3-dichlorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171190034
(3R)-3-(2-ethoxyphenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189996
2-[(1S)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]benzoic acid;hydrochloride
CID 171189956
(3R)-3-(2-chloro-3-fluorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol
CID 171176270
4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-ol;dihydrochloride
CID 171279766

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-1-ol?
The IUPAC name of 4-[(1R)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-1-ol (CID 171190699) is 4-[(1R)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-1-ol.
What is the SMILES notation for 4-[(1R)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-1-ol?
The canonical SMILES for 4-[(1R)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-1-ol is CC(C)(CO)[C@@H](c1ccc(O)c2ccccc12)N1CCNCC1.
What is the InChIKey of 4-[(1R)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-1-ol?
The InChIKey is NRRCMKOPOCPXFF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-19(2,13-22)18(21-11-9-20-10-12-21)16-7-8-17(23)15-6-4-3-5-14(15)16/h3-8,18,20,22-23H,9-13H2,1-2H3/t18-/m1/s1.
What are the key properties of 4-[(1R)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-1-ol?
4-[(1R)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-1-ol has a molecular weight of 314.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-1-ol is sourced from PubChem (CID 171190699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).