3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol

C15H24N2O — CID 171272827

IUPAC3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
SMILESCC(C)(C)[C@@H](c1cccc(O)c1)N1CCNCC1
InChIInChI=1S/C15H24N2O/c1-15(2,3)14(17-9-7-16-8-10-17)12-5-4-6-13(18)11-12/h4-6,11,14,16,18H,7-10H2,1-3H3/t14-/m1/s1
InChIKeyKWKWBZFKTFPGTC-CQSZACIVSA-N
MW248.37 g/mol
LogP2.38
Rot. Bonds2

About 3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol

3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol (PubChem CID 171272827) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol.

Molecular Properties

Compound Name3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
PubChem CID171272827
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
SMILESCC(C)(C)[C@@H](c1cccc(O)c1)N1CCNCC1
InChIInChI=1S/C15H24N2O/c1-15(2,3)14(17-9-7-16-8-10-17)12-5-4-6-13(18)11-12/h4-6,11,14,16,18H,7-10H2,1-3H3/t14-/m1/s1
InChIKeyKWKWBZFKTFPGTC-CQSZACIVSA-N
XLogP2.38
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171286243
1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171273335
1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine
CID 171293821
4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-fluorophenol;hydrochloride
CID 171168105
3-(1-piperazin-1-ylpropyl)phenol;dihydrochloride
CID 23080544
5-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenol
CID 171273410
2,6-ditert-butyl-4-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
CID 171272285
2,6-dibromo-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171286577
3-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285431
1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride
CID 171275055
3-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171188985
4-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2,6-dimethoxyphenol
CID 171273795

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol?
The IUPAC name of 3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol (CID 171272827) is 3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol.
What is the SMILES notation for 3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol?
The canonical SMILES for 3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol is CC(C)(C)[C@@H](c1cccc(O)c1)N1CCNCC1.
What is the InChIKey of 3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol?
The InChIKey is KWKWBZFKTFPGTC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,3)14(17-9-7-16-8-10-17)12-5-4-6-13(18)11-12/h4-6,11,14,16,18H,7-10H2,1-3H3/t14-/m1/s1.
What are the key properties of 3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol?
3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol has a molecular weight of 248.37 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol is sourced from PubChem (CID 171272827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).