(2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol

C14H21ClN2O2 — CID 2106519

IUPAC(2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
SMILESCOc1ccc(N2CCN(C[C@@H](O)CCl)CC2)cc1
InChIInChI=1S/C14H21ClN2O2/c1-19-14-4-2-12(3-5-14)17-8-6-16(7-9-17)11-13(18)10-15/h2-5,13,18H,6-11H2,1H3/t13-/m0/s1
InChIKeyUGVXJTGSMOEJIW-ZDUSSCGKSA-N
MW284.79 g/mol
LogP1.42
Rot. Bonds5

About (2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol

(2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol (PubChem CID 2106519) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is (2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
PubChem CID2106519
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name(2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
SMILESCOc1ccc(N2CCN(C[C@@H](O)CCl)CC2)cc1
InChIInChI=1S/C14H21ClN2O2/c1-19-14-4-2-12(3-5-14)17-8-6-16(7-9-17)11-13(18)10-15/h2-5,13,18H,6-11H2,1H3/t13-/m0/s1
InChIKeyUGVXJTGSMOEJIW-ZDUSSCGKSA-N
XLogP1.42
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 8669631
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
CID 18593538
(2R)-1-butoxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 30844662
(2R)-1-(2,6-dimethoxyphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1080818
2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol
CID 64792176
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 75449607
(2R)-1-(2-bromophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 34066311
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride
CID 45283651
2-[[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-methylamino]-N,N-dimethylacetamide
CID 97261065
(2R)-1-(2,4-dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1325318
(2S)-1-(3,5-dimethylphenoxy)-3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]propan-2-ol
CID 97003615
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 45283774

Frequently Asked Questions

What is the IUPAC name of (2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol (CID 2106519) is (2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol is COc1ccc(N2CCN(C[C@@H](O)CCl)CC2)cc1.
What is the InChIKey of (2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is UGVXJTGSMOEJIW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-19-14-4-2-12(3-5-14)17-8-6-16(7-9-17)11-13(18)10-15/h2-5,13,18H,6-11H2,1H3/t13-/m0/s1.
What are the key properties of (2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol?
(2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 284.79 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 2106519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).