(3S)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol

C18H24N2O2 — CID 171189440

IUPAC(3S)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol
SMILESCOc1ccc2cc([C@H](CCO)N3CCNCC3)ccc2c1
InChIInChI=1S/C18H24N2O2/c1-22-17-5-4-14-12-16(3-2-15(14)13-17)18(6-11-21)20-9-7-19-8-10-20/h2-5,12-13,18-19,21H,6-11H2,1H3/t18-/m0/s1
InChIKeyMRDGXGLXZWGAOQ-SFHVURJKSA-N
MW300.40 g/mol
LogP2.18
Rot. Bonds5

About (3S)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol

(3S)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol (PubChem CID 171189440) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (3S)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name(3S)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol
PubChem CID171189440
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(3S)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol
SMILESCOc1ccc2cc([C@H](CCO)N3CCNCC3)ccc2c1
InChIInChI=1S/C18H24N2O2/c1-22-17-5-4-14-12-16(3-2-15(14)13-17)18(6-11-21)20-9-7-19-8-10-20/h2-5,12-13,18-19,21H,6-11H2,1H3/t18-/m0/s1
InChIKeyMRDGXGLXZWGAOQ-SFHVURJKSA-N
XLogP2.18
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(6-methoxynaphthalen-2-yl)-4-methylpentyl]piperazine
CID 171310667
1-[(1R)-1-(6-methoxynaphthalen-2-yl)pentyl]piperazine
CID 171307368
1-[(1R)-4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl)butyl]piperazine;hydrochloride
CID 171168427
(3R)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropanenitrile
CID 171306560
(3S)-3-(3-bromo-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189570
(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183352
1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]piperazine
CID 171286074
(3R)-3-(3-fluoro-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171173484
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189664
(3S)-3-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)propan-1-ol;hydrochloride
CID 171189675
1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine
CID 171168617
1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171309970

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol?
The IUPAC name of (3S)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol (CID 171189440) is (3S)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for (3S)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol?
The canonical SMILES for (3S)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol is COc1ccc2cc([C@H](CCO)N3CCNCC3)ccc2c1.
What is the InChIKey of (3S)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol?
The InChIKey is MRDGXGLXZWGAOQ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-22-17-5-4-14-12-16(3-2-15(14)13-17)18(6-11-21)20-9-7-19-8-10-20/h2-5,12-13,18-19,21H,6-11H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol?
(3S)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol has a molecular weight of 300.40 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 171189440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).