[(2R)-1-(4-propan-2-ylphenyl)piperazin-2-yl]methanol

C14H22N2O — CID 138530480

IUPAC[(2R)-1-(4-propan-2-ylphenyl)piperazin-2-yl]methanol
SMILESCC(C)c1ccc(N2CCNC[C@@H]2CO)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)12-3-5-13(6-4-12)16-8-7-15-9-14(16)10-17/h3-6,11,14-15,17H,7-10H2,1-2H3/t14-/m1/s1
InChIKeyYYJIVWLRQRNDQR-CQSZACIVSA-N
MW234.34 g/mol
LogP1.58
Rot. Bonds3

About [(2R)-1-(4-propan-2-ylphenyl)piperazin-2-yl]methanol

[(2R)-1-(4-propan-2-ylphenyl)piperazin-2-yl]methanol (PubChem CID 138530480) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [(2R)-1-(4-propan-2-ylphenyl)piperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(4-propan-2-ylphenyl)piperazin-2-yl]methanol
PubChem CID138530480
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[(2R)-1-(4-propan-2-ylphenyl)piperazin-2-yl]methanol
SMILESCC(C)c1ccc(N2CCNC[C@@H]2CO)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)12-3-5-13(6-4-12)16-8-7-15-9-14(16)10-17/h3-6,11,14-15,17H,7-10H2,1-2H3/t14-/m1/s1
InChIKeyYYJIVWLRQRNDQR-CQSZACIVSA-N
XLogP1.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-phenylpiperazin-2-yl]methanol
CID 139491913
2-[(4-phenylmethoxyphenoxy)methyl]-1-(4-propan-2-ylphenyl)piperazine;hydrochloride
CID 67087030
[(2S)-1-(3,4,5-trifluorophenyl)piperazin-2-yl]methanol
CID 134489710
2-ethyl-1-(4-iodophenyl)piperazine
CID 64931488
3-[1-(4-fluorophenyl)piperazin-2-yl]propan-1-ol
CID 67722898
1-methyl-2-[(4-propan-2-ylphenyl)sulfanylmethyl]piperazine
CID 117034430
2-[4-(2-ethylpiperazin-1-yl)phenyl]propan-2-ol
CID 70659457
2-[1-(4-aminophenyl)piperazin-2-yl]acetamide
CID 161149174
methyl 2-[1-(4-chlorophenyl)piperazin-2-yl]acetate
CID 23137063
1-methyl-2-(4-propan-2-ylphenyl)piperazine
CID 82021257
1-phenyl-2-propylpiperazine
CID 70549920
[(2S)-1-pyridazin-3-ylpiperazin-2-yl]methanol
CID 139491833

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-propan-2-ylphenyl)piperazin-2-yl]methanol?
The IUPAC name of [(2R)-1-(4-propan-2-ylphenyl)piperazin-2-yl]methanol (CID 138530480) is [(2R)-1-(4-propan-2-ylphenyl)piperazin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(4-propan-2-ylphenyl)piperazin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(4-propan-2-ylphenyl)piperazin-2-yl]methanol is CC(C)c1ccc(N2CCNC[C@@H]2CO)cc1.
What is the InChIKey of [(2R)-1-(4-propan-2-ylphenyl)piperazin-2-yl]methanol?
The InChIKey is YYJIVWLRQRNDQR-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)12-3-5-13(6-4-12)16-8-7-15-9-14(16)10-17/h3-6,11,14-15,17H,7-10H2,1-2H3/t14-/m1/s1.
What are the key properties of [(2R)-1-(4-propan-2-ylphenyl)piperazin-2-yl]methanol?
[(2R)-1-(4-propan-2-ylphenyl)piperazin-2-yl]methanol has a molecular weight of 234.34 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-propan-2-ylphenyl)piperazin-2-yl]methanol is sourced from PubChem (CID 138530480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).