1-[(1S)-1-piperazin-1-ylpentyl]naphthalen-2-ol

C19H26N2O — CID 171309511

IUPAC1-[(1S)-1-piperazin-1-ylpentyl]naphthalen-2-ol
SMILESCCCC[C@@H](c1c(O)ccc2ccccc12)N1CCNCC1
InChIInChI=1S/C19H26N2O/c1-2-3-8-17(21-13-11-20-12-14-21)19-16-7-5-4-6-15(16)9-10-18(19)22/h4-7,9-10,17,20,22H,2-3,8,11-14H2,1H3/t17-/m0/s1
InChIKeyAXFBSKANDJVSRD-KRWDZBQOSA-N
MW298.43 g/mol
LogP3.68
Rot. Bonds5

About 1-[(1S)-1-piperazin-1-ylpentyl]naphthalen-2-ol

1-[(1S)-1-piperazin-1-ylpentyl]naphthalen-2-ol (PubChem CID 171309511) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[(1S)-1-piperazin-1-ylpentyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(1S)-1-piperazin-1-ylpentyl]naphthalen-2-ol
PubChem CID171309511
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-[(1S)-1-piperazin-1-ylpentyl]naphthalen-2-ol
SMILESCCCC[C@@H](c1c(O)ccc2ccccc12)N1CCNCC1
InChIInChI=1S/C19H26N2O/c1-2-3-8-17(21-13-11-20-12-14-21)19-16-7-5-4-6-15(16)9-10-18(19)22/h4-7,9-10,17,20,22H,2-3,8,11-14H2,1H3/t17-/m0/s1
InChIKeyAXFBSKANDJVSRD-KRWDZBQOSA-N
XLogP3.68
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.68
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-anthracen-9-ylhexyl]piperazine;dihydrochloride
CID 171307227
4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride
CID 171308012
1-[(1R)-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
CID 171294389
(3R)-3-(2-hydroxynaphthalen-1-yl)-3-piperazin-1-ylpropanenitrile
CID 171307061
1-[(1S)-1-(2-ethoxynaphthalen-1-yl)hexyl]piperazine;dihydrochloride
CID 171309582
1-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
CID 171294417
2-[(1R)-1-piperazin-1-ylpentyl]benzene-1,3,5-triol
CID 171308517
1-[(1S)-1-phenanthren-9-ylpentyl]piperazine;dihydrochloride
CID 171309540
1-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-2-ol
CID 171281801
1-[(1R)-1-naphthalen-2-ylpentyl]piperazine;dihydrochloride
CID 171307529
2-methyl-3-[(1R)-1-piperazin-1-ylhexyl]-1H-indole
CID 171307913
2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307505

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-piperazin-1-ylpentyl]naphthalen-2-ol?
The IUPAC name of 1-[(1S)-1-piperazin-1-ylpentyl]naphthalen-2-ol (CID 171309511) is 1-[(1S)-1-piperazin-1-ylpentyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(1S)-1-piperazin-1-ylpentyl]naphthalen-2-ol?
The canonical SMILES for 1-[(1S)-1-piperazin-1-ylpentyl]naphthalen-2-ol is CCCC[C@@H](c1c(O)ccc2ccccc12)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-piperazin-1-ylpentyl]naphthalen-2-ol?
The InChIKey is AXFBSKANDJVSRD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N2O/c1-2-3-8-17(21-13-11-20-12-14-21)19-16-7-5-4-6-15(16)9-10-18(19)22/h4-7,9-10,17,20,22H,2-3,8,11-14H2,1H3/t17-/m0/s1.
What are the key properties of 1-[(1S)-1-piperazin-1-ylpentyl]naphthalen-2-ol?
1-[(1S)-1-piperazin-1-ylpentyl]naphthalen-2-ol has a molecular weight of 298.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-piperazin-1-ylpentyl]naphthalen-2-ol is sourced from PubChem (CID 171309511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).