1-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-2-ol

C19H26N2O — CID 171281801

IUPAC1-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-2-ol
SMILESCC(C)(C)[C@@H](c1c(O)ccc2ccccc12)N1CCNCC1
InChIInChI=1S/C19H26N2O/c1-19(2,3)18(21-12-10-20-11-13-21)17-15-7-5-4-6-14(15)8-9-16(17)22/h4-9,18,20,22H,10-13H2,1-3H3/t18-/m1/s1
InChIKeyGTNGJECLEKMYAD-GOSISDBHSA-N
MW298.43 g/mol
LogP3.54
Rot. Bonds2

About 1-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-2-ol

1-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-2-ol (PubChem CID 171281801) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-2-ol
PubChem CID171281801
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-2-ol
SMILESCC(C)(C)[C@@H](c1c(O)ccc2ccccc12)N1CCNCC1
InChIInChI=1S/C19H26N2O/c1-19(2,3)18(21-12-10-20-11-13-21)17-15-7-5-4-6-14(15)8-9-16(17)22/h4-9,18,20,22H,10-13H2,1-3H3/t18-/m1/s1
InChIKeyGTNGJECLEKMYAD-GOSISDBHSA-N
XLogP3.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
CID 171294389
1-[(1S)-1-piperazin-1-ylpentyl]naphthalen-2-ol
CID 171309511
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-3-methoxyphenol
CID 171284147
(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
(3R)-3-(2-hydroxynaphthalen-1-yl)-3-piperazin-1-ylpropanenitrile
CID 171307061
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-3-methoxyphenol;dihydrochloride
CID 171284148
1-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
CID 171294417
(3R)-3-(2-methoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol
CID 171190221
4-[(1R)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-1-ol
CID 171190699
(3R)-3-(2-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171190278
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-3,6-difluorophenol;dihydrochloride
CID 171297630

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-2-ol?
The IUPAC name of 1-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-2-ol (CID 171281801) is 1-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-2-ol?
The canonical SMILES for 1-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-2-ol is CC(C)(C)[C@@H](c1c(O)ccc2ccccc12)N1CCNCC1.
What is the InChIKey of 1-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-2-ol?
The InChIKey is GTNGJECLEKMYAD-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26N2O/c1-19(2,3)18(21-12-10-20-11-13-21)17-15-7-5-4-6-14(15)8-9-16(17)22/h4-9,18,20,22H,10-13H2,1-3H3/t18-/m1/s1.
What are the key properties of 1-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-2-ol?
1-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-2-ol has a molecular weight of 298.43 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-2-ol is sourced from PubChem (CID 171281801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).