1-chloro-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol

C10H21ClN2O — CID 112561665

IUPAC1-chloro-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol
SMILESCCN1CCN(CC(O)CCl)CC1C
InChIInChI=1S/C10H21ClN2O/c1-3-13-5-4-12(7-9(13)2)8-10(14)6-11/h9-10,14H,3-8H2,1-2H3
InChIKeyFAZNDVLKAXLOGH-UHFFFAOYSA-N
MW220.74 g/mol
LogP0.61
Rot. Bonds4

About 1-chloro-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol

1-chloro-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol (PubChem CID 112561665) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is 1-chloro-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol
PubChem CID112561665
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Name1-chloro-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol
SMILESCCN1CCN(CC(O)CCl)CC1C
InChIInChI=1S/C10H21ClN2O/c1-3-13-5-4-12(7-9(13)2)8-10(14)6-11/h9-10,14H,3-8H2,1-2H3
InChIKeyFAZNDVLKAXLOGH-UHFFFAOYSA-N
XLogP0.61
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-chloro-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol (CID 112561665) is 1-chloro-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-chloro-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol is CCN1CCN(CC(O)CCl)CC1C.
What is the InChIKey of 1-chloro-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is FAZNDVLKAXLOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2O/c1-3-13-5-4-12(7-9(13)2)8-10(14)6-11/h9-10,14H,3-8H2,1-2H3.
What are the key properties of 1-chloro-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol?
1-chloro-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 220.74 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 112561665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).