4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride

C19H28Cl2N2O — CID 171308012

IUPAC4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride
SMILESCCCC[C@H](c1ccc(O)c2ccccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H26N2O.2ClH/c1-2-3-8-18(21-13-11-20-12-14-21)16-9-10-19(22)17-7-5-4-6-15(16)17;;/h4-7,9-10,18,20,22H,2-3,8,11-14H2,1H3;2*1H/t18-;;/m1../s1
InChIKeyPZVPDLFILHPEME-JPKZNVRTSA-N
MW371.35 g/mol
LogP4.53
Rot. Bonds5

About 4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride

4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride (PubChem CID 171308012) has the molecular formula C19H28Cl2N2O and a molecular weight of 371.35 g/mol. Its IUPAC name is 4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride
PubChem CID171308012
Molecular FormulaC19H28Cl2N2O
Molecular Weight371.35 g/mol
Exact Mass370.16
IUPAC Name4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride
SMILESCCCC[C@H](c1ccc(O)c2ccccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H26N2O.2ClH/c1-2-3-8-18(21-13-11-20-12-14-21)16-9-10-19(22)17-7-5-4-6-15(16)17;;/h4-7,9-10,18,20,22H,2-3,8,11-14H2,1H3;2*1H/t18-;;/m1../s1
InChIKeyPZVPDLFILHPEME-JPKZNVRTSA-N
XLogP4.53
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine
CID 171308015
4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride
CID 171183518
4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-ol;dihydrochloride
CID 171279766
2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307505
1-[(1S)-1-phenanthren-9-ylpentyl]piperazine;dihydrochloride
CID 171309540
1-[(1S)-1-piperazin-1-ylpentyl]naphthalen-2-ol
CID 171309511
4-[(1S)-1-piperazin-1-ylpentyl]benzene-1,3-diol;dihydrochloride
CID 171308726
4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride
CID 171171355
4-[(1R)-1-piperazin-1-ylbut-3-enyl]naphthalen-1-ol;dihydrochloride
CID 171292390
4-chloro-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171307229
3-[(1R)-1-piperazin-1-ylhexyl]benzene-1,2-diol;dihydrochloride
CID 171307509
4-[(1R)-1-piperazin-1-ylethyl]naphthalen-1-ol
CID 171292379

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride?
The IUPAC name of 4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride (CID 171308012) is 4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride.
What is the SMILES notation for 4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride?
The canonical SMILES for 4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride is CCCC[C@H](c1ccc(O)c2ccccc12)N1CCNCC1.Cl.Cl.
What is the InChIKey of 4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride?
The InChIKey is PZVPDLFILHPEME-JPKZNVRTSA-N. The full InChI is InChI=1S/C19H26N2O.2ClH/c1-2-3-8-18(21-13-11-20-12-14-21)16-9-10-19(22)17-7-5-4-6-15(16)17;;/h4-7,9-10,18,20,22H,2-3,8,11-14H2,1H3;2*1H/t18-;;/m1../s1.
What are the key properties of 4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride?
4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride has a molecular weight of 371.35 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride is sourced from PubChem (CID 171308012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).