(2R)-1-[4-[(4-chlorophenyl)methylideneamino]phenoxy]-3-piperidin-1-ylpropan-2-ol

C21H25ClN2O2 — CID 7176756

IUPAC(2R)-1-[4-[(4-chlorophenyl)methylideneamino]phenoxy]-3-piperidin-1-ylpropan-2-ol
SMILESO[C@@H](COc1ccc(/N=C/c2ccc(Cl)cc2)cc1)CN1CCCCC1
InChIInChI=1S/C21H25ClN2O2/c22-18-6-4-17(5-7-18)14-23-19-8-10-21(11-9-19)26-16-20(25)15-24-12-2-1-3-13-24/h4-11,14,20,25H,1-3,12-13,15-16H2/b23-14+/t20-/m1/s1
InChIKeyABDQJFOHNCZUEJ-RXULLKCLSA-N
MW372.90 g/mol
LogP4.32
Rot. Bonds7

About (2R)-1-[4-[(4-chlorophenyl)methylideneamino]phenoxy]-3-piperidin-1-ylpropan-2-ol

(2R)-1-[4-[(4-chlorophenyl)methylideneamino]phenoxy]-3-piperidin-1-ylpropan-2-ol (PubChem CID 7176756) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is (2R)-1-[4-[(4-chlorophenyl)methylideneamino]phenoxy]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(4-chlorophenyl)methylideneamino]phenoxy]-3-piperidin-1-ylpropan-2-ol
PubChem CID7176756
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name(2R)-1-[4-[(4-chlorophenyl)methylideneamino]phenoxy]-3-piperidin-1-ylpropan-2-ol
SMILESO[C@@H](COc1ccc(/N=C/c2ccc(Cl)cc2)cc1)CN1CCCCC1
InChIInChI=1S/C21H25ClN2O2/c22-18-6-4-17(5-7-18)14-23-19-8-10-21(11-9-19)26-16-20(25)15-24-12-2-1-3-13-24/h4-11,14,20,25H,1-3,12-13,15-16H2/b23-14+/t20-/m1/s1
InChIKeyABDQJFOHNCZUEJ-RXULLKCLSA-N
XLogP4.32
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-chlorophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol
CID 3709634
1-[4-(azepan-1-ylmethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 172660340
(2S)-1-(4-chlorophenoxy)-3-(1,4-diazepan-1-yl)propan-2-ol
CID 95067055
1-[2-(4-chlorophenoxy)ethoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 4670670
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 71960280
1-(4-chlorophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3747847
1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol
CID 110887687
1-(4-aminophenoxy)-3-(azocan-1-yl)propan-2-ol
CID 43364549
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133200
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride
CID 53352471
(2R)-1-(azepan-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol
CID 2306304

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(4-chlorophenyl)methylideneamino]phenoxy]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-[4-[(4-chlorophenyl)methylideneamino]phenoxy]-3-piperidin-1-ylpropan-2-ol (CID 7176756) is (2R)-1-[4-[(4-chlorophenyl)methylideneamino]phenoxy]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(4-chlorophenyl)methylideneamino]phenoxy]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[4-[(4-chlorophenyl)methylideneamino]phenoxy]-3-piperidin-1-ylpropan-2-ol is O[C@@H](COc1ccc(/N=C/c2ccc(Cl)cc2)cc1)CN1CCCCC1.
What is the InChIKey of (2R)-1-[4-[(4-chlorophenyl)methylideneamino]phenoxy]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is ABDQJFOHNCZUEJ-RXULLKCLSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c22-18-6-4-17(5-7-18)14-23-19-8-10-21(11-9-19)26-16-20(25)15-24-12-2-1-3-13-24/h4-11,14,20,25H,1-3,12-13,15-16H2/b23-14+/t20-/m1/s1.
What are the key properties of (2R)-1-[4-[(4-chlorophenyl)methylideneamino]phenoxy]-3-piperidin-1-ylpropan-2-ol?
(2R)-1-[4-[(4-chlorophenyl)methylideneamino]phenoxy]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 372.90 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(4-chlorophenyl)methylideneamino]phenoxy]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 7176756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).