4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride

C15H24Cl2N2O — CID 171285197

IUPAC4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride
SMILESCl.Cl.Oc1ccc([C@@H](CC2CC2)N2CCNCC2)cc1
InChIInChI=1S/C15H22N2O.2ClH/c18-14-5-3-13(4-6-14)15(11-12-1-2-12)17-9-7-16-8-10-17;;/h3-6,12,15-16,18H,1-2,7-11H2;2*1H/t15-;;/m1../s1
InChIKeyBGNJURRJVJYSNA-QCUBGVIVSA-N
MW319.28 g/mol
LogP2.98
Rot. Bonds4

About 4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride

4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride (PubChem CID 171285197) has the molecular formula C15H24Cl2N2O and a molecular weight of 319.28 g/mol. Its IUPAC name is 4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride.

Molecular Properties

Compound Name4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride
PubChem CID171285197
Molecular FormulaC15H24Cl2N2O
Molecular Weight319.28 g/mol
Exact Mass318.13
IUPAC Name4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride
SMILESCl.Cl.Oc1ccc([C@@H](CC2CC2)N2CCNCC2)cc1
InChIInChI=1S/C15H22N2O.2ClH/c18-14-5-3-13(4-6-14)15(11-12-1-2-12)17-9-7-16-8-10-17;;/h3-6,12,15-16,18H,1-2,7-11H2;2*1H/t15-;;/m1../s1
InChIKeyBGNJURRJVJYSNA-QCUBGVIVSA-N
XLogP2.98
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171273249
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171288682
5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride
CID 171273867
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine
CID 171288681
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292166
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine
CID 171292165
1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine
CID 171275301
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2,6-diiodophenol;dihydrochloride
CID 171283888
1-[(1R)-1-(4-bromo-3-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171168952
[4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
CID 171279042
1-[(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171281131
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-diethylaniline
CID 171279366

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride?
The IUPAC name of 4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride (CID 171285197) is 4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride.
What is the SMILES notation for 4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride?
The canonical SMILES for 4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride is Cl.Cl.Oc1ccc([C@@H](CC2CC2)N2CCNCC2)cc1.
What is the InChIKey of 4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride?
The InChIKey is BGNJURRJVJYSNA-QCUBGVIVSA-N. The full InChI is InChI=1S/C15H22N2O.2ClH/c18-14-5-3-13(4-6-14)15(11-12-1-2-12)17-9-7-16-8-10-17;;/h3-6,12,15-16,18H,1-2,7-11H2;2*1H/t15-;;/m1../s1.
What are the key properties of 4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride?
4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride has a molecular weight of 319.28 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride is sourced from PubChem (CID 171285197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).