5-phenylmethoxy-2-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride

C19H26Cl2N2O2 — CID 171283033

IUPAC5-phenylmethoxy-2-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride
SMILESC[C@@H](c1ccc(OCc2ccccc2)cc1O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H24N2O2.2ClH/c1-15(21-11-9-20-10-12-21)18-8-7-17(13-19(18)22)23-14-16-5-3-2-4-6-16;;/h2-8,13,15,20,22H,9-12,14H2,1H3;2*1H/t15-;;/m0../s1
InChIKeyVLYIVEAUODRUDO-CKUXDGONSA-N
MW385.34 g/mol
LogP3.78
Rot. Bonds5

About 5-phenylmethoxy-2-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride

5-phenylmethoxy-2-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride (PubChem CID 171283033) has the molecular formula C19H26Cl2N2O2 and a molecular weight of 385.34 g/mol. Its IUPAC name is 5-phenylmethoxy-2-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride.

Molecular Properties

Compound Name5-phenylmethoxy-2-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride
PubChem CID171283033
Molecular FormulaC19H26Cl2N2O2
Molecular Weight385.34 g/mol
Exact Mass384.14
IUPAC Name5-phenylmethoxy-2-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride
SMILESC[C@@H](c1ccc(OCc2ccccc2)cc1O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H24N2O2.2ClH/c1-15(21-11-9-20-10-12-21)18-8-7-17(13-19(18)22)23-14-16-5-3-2-4-6-16;;/h2-8,13,15,20,22H,9-12,14H2,1H3;2*1H/t15-;;/m0../s1
InChIKeyVLYIVEAUODRUDO-CKUXDGONSA-N
XLogP3.78
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-phenylmethoxy-2-[(1S)-1-piperazin-1-ylethyl]phenol
CID 171283032
2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-5-phenylmethoxyphenol;dihydrochloride
CID 171311256
5-phenylmethoxy-2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171295657
2-[(S)-cyclopentyl(piperazin-1-yl)methyl]-5-phenylmethoxyphenol;dihydrochloride
CID 171283049
(3S)-3-(2-hydroxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropanenitrile
CID 171306383
1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one
CID 82263325
5-methyl-2-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171294351
(2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183535
1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171281105
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171295691
2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214454
1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine
CID 171293821

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-2-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride?
The IUPAC name of 5-phenylmethoxy-2-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride (CID 171283033) is 5-phenylmethoxy-2-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride.
What is the SMILES notation for 5-phenylmethoxy-2-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride?
The canonical SMILES for 5-phenylmethoxy-2-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride is C[C@@H](c1ccc(OCc2ccccc2)cc1O)N1CCNCC1.Cl.Cl.
What is the InChIKey of 5-phenylmethoxy-2-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride?
The InChIKey is VLYIVEAUODRUDO-CKUXDGONSA-N. The full InChI is InChI=1S/C19H24N2O2.2ClH/c1-15(21-11-9-20-10-12-21)18-8-7-17(13-19(18)22)23-14-16-5-3-2-4-6-16;;/h2-8,13,15,20,22H,9-12,14H2,1H3;2*1H/t15-;;/m0../s1.
What are the key properties of 5-phenylmethoxy-2-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride?
5-phenylmethoxy-2-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride has a molecular weight of 385.34 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-2-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride is sourced from PubChem (CID 171283033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).