4-[[(3S)-4-methyl-3-phenylpiperazin-1-yl]methyl]oxan-4-ol

C17H26N2O2 — CID 124966407

IUPAC4-[[(3S)-4-methyl-3-phenylpiperazin-1-yl]methyl]oxan-4-ol
SMILESCN1CCN(CC2(O)CCOCC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-18-9-10-19(14-17(20)7-11-21-12-8-17)13-16(18)15-5-3-2-4-6-15/h2-6,16,20H,7-14H2,1H3/t16-/m1/s1
InChIKeyILQSNAAXONZEOY-MRXNPFEDSA-N
MW290.41 g/mol
LogP1.52
Rot. Bonds3

About 4-[[(3S)-4-methyl-3-phenylpiperazin-1-yl]methyl]oxan-4-ol

4-[[(3S)-4-methyl-3-phenylpiperazin-1-yl]methyl]oxan-4-ol (PubChem CID 124966407) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[[(3S)-4-methyl-3-phenylpiperazin-1-yl]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3S)-4-methyl-3-phenylpiperazin-1-yl]methyl]oxan-4-ol
PubChem CID124966407
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-[[(3S)-4-methyl-3-phenylpiperazin-1-yl]methyl]oxan-4-ol
SMILESCN1CCN(CC2(O)CCOCC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-18-9-10-19(14-17(20)7-11-21-12-8-17)13-16(18)15-5-3-2-4-6-15/h2-6,16,20H,7-14H2,1H3/t16-/m1/s1
InChIKeyILQSNAAXONZEOY-MRXNPFEDSA-N
XLogP1.52
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol
CID 84734865
2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 171387000
1,4-dimethyl-2-phenylpiperazine;hydroiodide
CID 168921950
5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
CID 110098343
4-methyl-N-(oxan-4-yl)-3-phenylpiperazine-1-carboxamide
CID 110610555
formic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone
CID 171688367
1-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione
CID 81134502
4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 125008735
1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 77095873
4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 124999428
3-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 62272327
1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 97110715

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-4-methyl-3-phenylpiperazin-1-yl]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3S)-4-methyl-3-phenylpiperazin-1-yl]methyl]oxan-4-ol (CID 124966407) is 4-[[(3S)-4-methyl-3-phenylpiperazin-1-yl]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3S)-4-methyl-3-phenylpiperazin-1-yl]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3S)-4-methyl-3-phenylpiperazin-1-yl]methyl]oxan-4-ol is CN1CCN(CC2(O)CCOCC2)C[C@@H]1c1ccccc1.
What is the InChIKey of 4-[[(3S)-4-methyl-3-phenylpiperazin-1-yl]methyl]oxan-4-ol?
The InChIKey is ILQSNAAXONZEOY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-18-9-10-19(14-17(20)7-11-21-12-8-17)13-16(18)15-5-3-2-4-6-15/h2-6,16,20H,7-14H2,1H3/t16-/m1/s1.
What are the key properties of 4-[[(3S)-4-methyl-3-phenylpiperazin-1-yl]methyl]oxan-4-ol?
4-[[(3S)-4-methyl-3-phenylpiperazin-1-yl]methyl]oxan-4-ol has a molecular weight of 290.41 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-4-methyl-3-phenylpiperazin-1-yl]methyl]oxan-4-ol is sourced from PubChem (CID 124966407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).